UCSF

ZINC40063139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 3.27 7.15 -16.57 1 8 0 94 485.484 11
Mid Mid (pH 6-8) 3.27 9.45 -69.6 2 8 1 95 486.492 11
Mid Mid (pH 6-8) 3.72 6.95 -51.65 1 8 0 98 485.484 11

Activity (Go SEA)

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