UCSF

ZINC72119110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 25 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) 2.96 7.87 -6.15 1 4 0 42 338.451 5
Lo Low (pH 4.5-6) 2.96 10.21 -37.3 2 4 1 43 339.459 5

Activity (Go SEA)

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