UCSF

ZINC01567894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 2.34 5.25 -9.27 2 4 0 61 225.251 1
Lo Low (pH 4.5-6) 2.34 1.39 -33.05 3 4 1 62 226.259 1

Activity (Go SEA)

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