UCSF

ZINC59628900

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 18 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) 4.63 12.35 -32.21 1 2 1 19 249.422 7
Mid Mid (pH 6-8) 4.63 11.83 -5.7 0 2 0 18 248.414 7

Activity (Go SEA)

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