UCSF

ZINC44537801

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 17 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) 1.81 7.64 -41.42 2 4 1 42 235.355 4
Mid Mid (pH 6-8) 1.81 8.03 -79.78 3 4 2 43 236.363 4

Activity (Go SEA)

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