UCSF

ZINC62181237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 25 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) 3.41 6.97 -8.92 0 4 0 33 348.531 5
Mid Mid (pH 6-8) 3.41 9.03 -44.52 1 4 1 34 349.539 5

Activity (Go SEA)

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