UCSF

ZINC05013445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 27 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) 2.42 7.27 -44.44 0 6 -1 79 366.393 7
Mid Mid (pH 6-8) 2.87 5.53 -26.14 1 6 0 76 367.401 6
Mid Mid (pH 6-8) 1.84 6.52 -20.75 0 6 0 73 367.401 7

Activity (Go SEA)

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