UCSF

ZINC20521411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 0.96 3.36 -46.27 3 3 1 44 223.34 2
Lo Low (pH 4.5-6) 0.96 5.54 -108.89 4 3 2 45 224.348 2

Activity (Go SEA)

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