UCSF

ZINC44243545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 Yes

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) 0.40 -1.51 -52.09 4 5 1 87 293.166 3
Mid Mid (pH 6-8) 0.40 -1.82 -42.83 3 5 0 89 292.158 3
Mid Mid (pH 6-8) 0.40 -1.83 -8.7 3 5 0 85 292.158 3

Activity (Go SEA)

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