UCSF

ZINC03214442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 4.70 15.03 -12.87 0 4 0 43 338.414 2
Mid Mid (pH 6-8) 4.71 15.98 -46.73 2 4 1 47 339.422 2
Lo Low (pH 4.5-6) 4.71 15.35 -34.5 1 4 1 45 339.422 2

Activity (Go SEA)

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