UCSF

ZINC05045101

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 26 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) 3.55 7.72 -52.37 0 5 -1 70 411.286 6
Mid Mid (pH 6-8) 2.96 7.38 -19.44 0 5 0 64 412.294 6
Mid Mid (pH 6-8) 3.99 6.33 -28.13 1 5 0 67 412.294 5

Activity (Go SEA)

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