UCSF

ZINC48368149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 17 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) 1.92 7.49 -40.42 1 3 1 23 234.319 6
Mid Mid (pH 6-8) 1.92 5.33 -7.48 0 3 0 22 233.311 6

Activity (Go SEA)

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