UCSF

ZINC11817487

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 22 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) 0.51 -0.36 -33.9 1 5 1 47 304.414 5
Lo Low (pH 4.5-6) 0.51 -0.3 -104.28 2 5 2 48 305.422 5

Activity (Go SEA)

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