UCSF

ZINC44510565

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) 2.69 8.79 -57.46 0 5 -1 67 287.339 5
Mid Mid (pH 6-8) 2.69 9.08 -53.02 1 5 0 68 288.347 5

Activity (Go SEA)

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