UCSF

ZINC23326113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 1.45 4.77 -22.07 1 9 0 101 449.511 7
Mid Mid (pH 6-8) 1.45 6.98 -60.1 2 9 1 102 450.519 7

Activity (Go SEA)

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