UCSF

ZINC40180951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 2.76 9.87 -11.61 1 5 0 60 356.429 6
Mid Mid (pH 6-8) 2.76 10.38 -34.78 2 5 1 61 357.437 6

Activity (Go SEA)

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