UCSF

ZINC09424784

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 30 No

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) 1.18 3.55 -71.37 1 8 -1 108 432.474 10
Mid Mid (pH 6-8) 1.63 2.94 -25.91 2 8 0 106 433.482 9
Mid Mid (pH 6-8) 0.60 -3.31 -27.96 1 8 0 102 433.482 10

Activity (Go SEA)

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