UCSF

ZINC20543569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 2.71 7.66 -42.51 2 5 1 46 292.403 4
Mid Mid (pH 6-8) 2.71 5.82 -7.77 1 5 0 45 291.395 4

Activity (Go SEA)

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