UCSF

ZINC49474522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) 0.88 4.48 -34.39 2 4 0 60 214.309 6
Mid Mid (pH 6-8) 0.88 6.71 -85.29 3 4 1 61 215.317 6
Mid Mid (pH 6-8) 0.88 5.74 -52.79 2 4 0 57 214.309 6

Activity (Go SEA)

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