UCSF

ZINC34618124

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 2.72 6.27 -41.77 2 2 1 20 225.743 1
Hi High (pH 8-9.5) 2.72 4.96 -2.2 1 2 0 15 224.735 1

Activity (Go SEA)

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