UCSF

ZINC44517093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.73 4.94 -36.43 4 4 1 55 235.355 4
Mid Mid (pH 6-8) 1.73 5.4 -76.63 5 4 2 57 236.363 4

Activity (Go SEA)

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