UCSF

ZINC04251180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 30 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) 4.28 11.43 -13.92 0 6 0 60 416.506 5
Mid Mid (pH 6-8) 4.28 11.87 -37.04 1 6 1 61 417.514 5

Activity (Go SEA)

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