UCSF

ZINC40188815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.67 9.96 -17.34 1 6 0 67 378.476 7
Lo Low (pH 4.5-6) 2.67 10.53 -36.18 2 6 1 68 379.484 7

Activity (Go SEA)

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