UCSF

ZINC40954885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 No

Popular Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-(1,4-diazepan-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16 (2S,3S,5S,8R,9S,10S,13S,14S,17S)…

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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) 2.93 4.56 -4.2 4 4 0 57 391.62 1 ↓
Lo Low (pH 4.5-6) 2.93 5.85 -17.02 5 4 0 61 392.628 1 ↓
Lo Low (pH 4.5-6) 2.93 5.89 -45.27 4 4 1 60 391.62 1 ↓

Activity (Go SEA)

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