UCSF

ZINC05295119

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.05 12.1 -9.4 1 8 0 88 465.311 3
Mid Mid (pH 6-8) 3.05 12.56 -38.4 2 8 1 90 466.319 3

Activity (Go SEA)

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