UCSF

ZINC44532156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 15 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) 0.26 4.78 -52.35 3 4 1 57 207.301 2
Mid Mid (pH 6-8) 0.26 5.21 -89.28 4 4 2 58 208.309 2

Activity (Go SEA)

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