UCSF

ZINC24380297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.41 8.78 -25.83 1 5 0 64 329.306 4
Lo Low (pH 4.5-6) 2.41 9.25 -52.45 2 5 1 65 330.314 4

Activity (Go SEA)

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