UCSF

ZINC45325786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 22 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) 1.50 5.08 -32.45 3 6 1 71 318.426 4
Mid Mid (pH 6-8) 1.50 4.63 -12.22 2 6 0 70 317.418 4

Activity (Go SEA)

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