UCSF

ZINC43247844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.39 6.94 -34.52 3 2 1 30 281.47 5
Mid Mid (pH 6-8) 2.39 7.22 -117.09 4 2 2 32 282.478 5
Mid Mid (pH 6-8) 2.39 5.46 -44.42 3 2 1 31 281.47 5

Activity (Go SEA)

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