UCSF

ZINC34949628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 3.16 3.35 -5.36 1 4 0 40 225.288 5
Lo Low (pH 4.5-6) 3.16 3.47 -26.46 2 4 1 44 226.296 5

Activity (Go SEA)

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