UCSF

ZINC65532268

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 No

Popular Name: N-[[(3S)-3,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl]methyl]-N-methyl-2-(4-methyl-1,4-diazepan-1- N-[[(3S)-3,4,5,6,7,8-hexahydrocy…

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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) 2.06 5.56 -36.23 1 6 1 53 334.488 4 ↓
Hi High (pH 8-9.5) 2.06 3.6 -7.7 0 6 0 52 333.48 4 ↓
Lo Low (pH 4.5-6) 2.06 5.73 -37.4 1 6 1 53 334.488 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.