UCSF

ZINC01358164

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 3.68 -0.33 -18.6 2 5 0 71 341.386 4
Lo Low (pH 4.5-6) 3.68 -0.65 -35.46 3 5 1 72 342.394 4

Activity (Go SEA)

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