UCSF

ZINC40862934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 11 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) 1.43 4.56 -4.75 1 3 0 38 151.213 4
Lo Low (pH 4.5-6) 1.43 5.06 -32.01 2 3 1 39 152.221 4

Activity (Go SEA)

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