UCSF

ZINC40277835

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 2.69 7.94 -14.53 1 4 0 47 297.333 4
Mid Mid (pH 6-8) 2.69 8.44 -34.71 2 4 1 48 298.341 4

Activity (Go SEA)

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