UCSF

ZINC37029195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.06 7.03 -44.58 3 3 1 46 285.392 3
Mid Mid (pH 6-8) 3.06 5.64 -8.96 2 3 0 41 284.384 3

Activity (Go SEA)

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