UCSF

ZINC39964037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 4.79 17.06 -14.39 1 6 0 67 438.531 6
Mid Mid (pH 6-8) 4.79 17.53 -38.6 2 6 1 68 439.539 6

Activity (Go SEA)

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