UCSF

ZINC60027316

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 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) -0.87 1.29 -28.08 8 11 0 184 520.59 10
Mid Mid (pH 6-8) -0.87 1.57 -58.68 9 11 1 185 521.598 10

Activity (Go SEA)

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