UCSF

ZINC05028196

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 22 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) 0.66 8.13 -40.66 1 8 1 79 307.378 5
Mid Mid (pH 6-8) 0.66 8.6 -97.43 2 8 2 80 308.386 5

Activity (Go SEA)

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