UCSF

ZINC00088482

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 No

Popular Name: (3aS,4R)-6-amino-3-(4-chlorophenyl)-4-(3-pyridyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (3aS,4R)-6-amino-3-(4-chlorophen…

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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) 2.34 3.82 -9.73 3 6 0 101 349.781 2 ↓
Mid Mid (pH 6-8) 2.34 3.19 -10.05 3 6 0 101 349.781 2 ↓
Lo Low (pH 4.5-6) 2.34 -3.87 -37.09 4 6 1 101 350.789 2 ↓
Lo Low (pH 4.5-6) 2.34 4.1 -58.21 4 6 1 102 350.789 2 ↓

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