UCSF

ZINC04870729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 1.48 7.03 -70.1 1 9 -1 135 408.39 7
Mid Mid (pH 6-8) 1.93 -1.96 -38.87 2 9 0 132 409.398 6
Mid Mid (pH 6-8) 0.90 -1.71 -38.31 1 9 0 129 409.398 7

Activity (Go SEA)

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