UCSF

ZINC34685181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 1.22 4.72 -9.46 0 6 0 49 386.521 5
Mid Mid (pH 6-8) 1.22 6.97 -45.33 1 6 1 50 387.529 5

Activity (Go SEA)

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