UCSF

ZINC39906828

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 26 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) 6.41 13.28 -11.17 0 3 0 27 389.326 6
Lo Low (pH 4.5-6) 6.41 13.71 -27.59 1 3 1 28 390.334 6

Activity (Go SEA)

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