UCSF

ZINC67946291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: (5S)-1-ethyl-5-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-methyl-amino]-4,5,6,7-tetrahydroindazo (5S)-1-ethyl-5-[(1-isopropyl-3,5…

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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) 2.21 10.68 -75.99 1 7 0 80 373.501 6 ↓
Mid Mid (pH 6-8) 2.21 8.44 -66.85 0 7 -1 79 372.493 6 ↓

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

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