UCSF

ZINC65526026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 No

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

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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) 2.98 5.83 -49.08 2 5 1 59 288.419 6 ↓
Hi High (pH 8-9.5) 2.98 4.55 -10.22 1 5 0 55 287.411 6 ↓

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

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