UCSF

ZINC09241790

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 5.61 0.06 -16.9 0 4 0 46 429.932 4
Lo Low (pH 4.5-6) 5.61 0.17 -44.78 1 4 1 47 430.94 4

Activity (Go SEA)

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