UCSF

ZINC37051821

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (1S)-N,N-dimethyl-N'-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(2-thienyl)ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(4R)-1-met…

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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) 1.49 5.95 -41.19 2 4 1 38 305.471 5 ↓
Hi High (pH 8-9.5) 1.49 4.68 -7.02 1 4 0 33 304.463 5 ↓
Mid Mid (pH 6-8) 1.49 7.05 -39.87 2 4 1 34 305.471 5 ↓
Lo Low (pH 4.5-6) 1.49 6.11 -102.48 3 4 2 39 306.479 5 ↓

Activity (Go SEA)

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