UCSF

ZINC09529797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 33 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) 4.50 11.05 -52.28 2 6 1 63 450.582 8
Mid Mid (pH 6-8) 4.50 8.84 -15.8 1 6 0 61 449.574 8

Activity (Go SEA)

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