UCSF

ZINC38678559

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 1.84 3.91 -47.19 0 5 -1 75 254.287 5
Mid Mid (pH 6-8) 1.84 3.83 -11.67 1 5 0 72 255.295 5

Activity (Go SEA)

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