UCSF

ZINC09041907

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 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) 2.91 8.71 -55.11 0 9 -1 119 464.498 8
Mid Mid (pH 6-8) 3.35 10.37 -50.94 2 9 1 117 466.514 7
Mid Mid (pH 6-8) 2.91 11.03 -73.18 1 9 0 120 465.506 8

Activity (Go SEA)

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