UCSF

ZINC43474407

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 1.31 4.44 -50.92 3 6 1 92 272.281 3
Mid Mid (pH 6-8) 1.31 3.24 -10.28 2 6 0 87 271.273 3

Activity (Go SEA)

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