UCSF

ZINC34676546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 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) 2.69 8.18 -15.39 0 6 0 54 404.301 3
Mid Mid (pH 6-8) 2.69 10.39 -48.47 1 6 1 55 405.309 3

Activity (Go SEA)

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