UCSF

ZINC19868818

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

Popular Name: (4S,4aS,12aR)-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene (4S,4aS,12aR)-4-dimethylamino-3,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 0.02 -58.31 5 9 -1 164 425.417 2 ↓
Hi High (pH 8-9.5) 0.13 3.89 -174.2 4 9 -2 171 424.409 2 ↓
Hi High (pH 8-9.5) 0.13 1.2 -111.24 4 9 -2 167 424.409 2 ↓
Hi High (pH 8-9.5) 0.13 1.11 -127.72 4 9 -2 167 424.409 2 ↓
Mid Mid (pH 6-8) 0.13 2.79 -97.43 5 9 -1 168 425.417 2 ↓
Mid Mid (pH 6-8) 0.13 0.1 -52.39 5 9 -1 164 425.417 2 ↓
Mid Mid (pH 6-8) 0.13 2.26 -55.12 6 9 0 165 426.425 2 ↓
Mid Mid (pH 6-8) 0.13 2.03 -74.63 6 9 0 165 426.425 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )