UCSF

ZINC40189298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 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) 3.54 8.06 -8.32 1 4 0 47 287.407 6
Mid Mid (pH 6-8) 3.54 8.9 -29.02 2 4 1 48 288.415 6

Activity (Go SEA)

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