UCSF

ZINC19451403

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: (5S,7R)-5-isopropyl-2-[(3S)-1-(3-pyridylsulfonyl)pyrrolidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrah (5S,7R)-5-isopropyl-2-[(3S)-1-(3…

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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) 2.73 6.09 -15.81 1 7 0 80 443.495 5 ↓
Mid Mid (pH 6-8) 2.73 6.18 -39.2 2 7 1 81 444.503 5 ↓

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

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