UCSF

ZINC34667049

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.25 6.24 -10.93 0 6 0 49 373.428 4
Mid Mid (pH 6-8) 2.25 8.52 -48.4 1 6 1 50 374.436 4

Activity (Go SEA)

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