UCSF

ZINC02614424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.72 12.52 -16.27 1 3 0 46 404.56 4
Mid Mid (pH 6-8) 7.18 11.28 -49.49 0 3 -1 49 403.552 4

Activity (Go SEA)

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