UCSF

ZINC38730217

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.54 8.24 -13.38 0 6 0 73 364.401 5
Lo Low (pH 4.5-6) 2.54 8.77 -40.54 1 6 1 74 365.409 5

Activity (Go SEA)

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