UCSF

ZINC38002466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 3.44 7.6 -37.94 2 3 1 37 348.33 6
Mid Mid (pH 6-8) 3.44 7.65 -7.19 1 3 0 32 347.322 6

Activity (Go SEA)

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