UCSF

ZINC70514828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 Yes

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) 1.17 3.79 -30.4 3 5 1 59 291.456 12
Lo Low (pH 4.5-6) 1.17 2.57 -85.05 4 5 2 60 292.464 12

Activity (Go SEA)

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