UCSF

ZINC00088499

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 3.87 -9.68 3 6 0 101 349.781 2 ↓
Mid Mid (pH 6-8) 2.28 3.24 -9.65 3 6 0 101 349.781 2 ↓
Lo Low (pH 4.5-6) 2.64 3.46 -40.16 3 6 1 98 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 3.51 -54 4 6 1 102 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 3.7 -37.78 4 6 1 102 350.789 2 ↓
Lo Low (pH 4.5-6) 2.28 4.33 -37.08 4 6 1 102 350.789 2 ↓

Activity (Go SEA)

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