UCSF

ZINC13474764

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 17 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) 2.97 5.84 -5.84 0 2 0 16 224.307 1
Lo Low (pH 4.5-6) 2.97 6.13 -27.01 1 2 1 17 225.315 1

Activity (Go SEA)

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