UCSF

ZINC69813298

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 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) 1.67 4.06 -37.43 2 6 1 55 340.419 9
Mid Mid (pH 6-8) 1.67 1.7 -10.68 1 6 0 54 339.411 9

Activity (Go SEA)

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