UCSF

ZINC00088507

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Substance Information

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

Popular Name: (3aS,4S)-6-amino-3-(4-chlorophenyl)-4-(4-pyridyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (3aS,4S)-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) 2.28 3.91 -9.71 3 6 0 101 349.781 2 ↓
Mid Mid (pH 6-8) 2.28 3.24 -9.54 3 6 0 101 349.781 2 ↓
Lo Low (pH 4.5-6) 2.64 3.34 -47.05 3 6 1 98 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 3.52 -53.81 4 6 1 102 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 3.7 -37.68 4 6 1 102 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 4.36 -36.74 4 6 1 102 350.789 2 ↓

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