UCSF

ZINC40132791

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 2.20 7.84 -13.01 2 6 0 74 356.401 4
Lo Low (pH 4.5-6) 2.20 8.31 -42.43 3 6 1 76 357.409 4

Activity (Go SEA)

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