UCSF

ZINC11787507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 34 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) 1.45 -0.58 -61.54 2 9 1 92 466.562 9
Mid Mid (pH 6-8) 1.45 -0.3 -108.46 3 9 2 93 467.57 9

Activity (Go SEA)

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