UCSF

ZINC09179158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 2.57 5.83 -64.94 0 8 -1 91 465.526 9
Mid Mid (pH 6-8) 3.01 8.87 -46.99 2 8 1 90 467.542 8
Mid Mid (pH 6-8) 1.98 0.36 -48.47 1 8 1 86 467.542 9
Mid Mid (pH 6-8) 2.57 8.17 -79.3 1 8 0 93 466.534 9

Activity (Go SEA)

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