UCSF

ZINC39914918

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 5.45 9.51 -11.84 2 6 0 78 474.388 7
Mid Mid (pH 6-8) 5.45 10.29 -48.34 1 6 -1 81 473.38 7

Activity (Go SEA)

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