UCSF

ZINC34539230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.84 10.1 -5.16 0 2 0 20 333.475 3
Lo Low (pH 4.5-6) 4.84 11.94 -37.89 1 2 1 22 334.483 3

Activity (Go SEA)

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