UCSF

ZINC00701709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 4.87 11.57 -14.77 1 4 0 45 477.58 9
Mid Mid (pH 6-8) 4.87 13.72 -57.09 2 4 1 46 478.588 9

Activity (Go SEA)

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