UCSF

ZINC36238098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 2.98 10.45 -51.48 2 4 1 37 321.448 3
Mid Mid (pH 6-8) 2.98 10.45 -81.5 3 4 2 38 322.456 3

Activity (Go SEA)

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