UCSF

ZINC53156412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.58 4.42 -9.22 2 3 0 41 272.751 6
Lo Low (pH 4.5-6) 2.58 5.68 -49.82 3 3 1 46 273.759 6

Activity (Go SEA)

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