UCSF

ZINC12613357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 24 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) 2.92 9.57 -43.39 2 5 1 50 325.436 3
Mid Mid (pH 6-8) 2.92 7.21 -9.83 1 5 0 48 324.428 3

Activity (Go SEA)

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