UCSF

ZINC44516873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 3.69 9.31 -101.41 3 3 2 34 311.539 5
Mid Mid (pH 6-8) 3.69 8.13 -37.94 2 3 1 29 310.531 5

Activity (Go SEA)

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