UCSF

ZINC34956080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.50 4 -9.1 1 4 0 59 274.226 2
Lo Low (pH 4.5-6) 3.31 6.15 -71.97 2 4 1 60 275.234 1

Activity (Go SEA)

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