UCSF

ZINC10020895

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 5.47 0.4 -21.13 0 5 0 55 458.37 6
Lo Low (pH 4.5-6) 5.47 0.51 -56.78 1 5 1 56 459.378 6

Activity (Go SEA)

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