UCSF

ZINC34292952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 11 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) 0.57 6.12 -50.22 0 2 -1 40 149.169 1
Lo Low (pH 4.5-6) 0.57 4.12 -5.48 1 2 0 37 150.177 1

Activity (Go SEA)

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