UCSF

ZINC53156707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.97 4.62 -53.82 4 3 1 57 285.77 3
Mid Mid (pH 6-8) 2.97 4.34 -6.46 3 3 0 55 284.762 3

Activity (Go SEA)

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