UCSF

ZINC40464604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 22 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) 2.88 4.32 -11.15 2 4 0 55 297.354 6
Mid Mid (pH 6-8) 2.88 5.74 -48.82 3 4 1 59 298.362 6

Activity (Go SEA)

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