UCSF

ZINC44410859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 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) 0.58 4.1 -44.62 2 3 1 34 259.439 3
Mid Mid (pH 6-8) 0.58 2.92 -46.62 2 3 1 37 259.439 3
Mid Mid (pH 6-8) 0.58 5.12 -114.67 3 3 2 38 260.447 3

Activity (Go SEA)

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