UCSF

ZINC05161311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 31 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) 6.70 17.59 -46.72 1 3 1 13 416.633 5
Mid Mid (pH 6-8) 6.70 15.37 -5.64 0 3 0 11 415.625 5

Activity (Go SEA)

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