UCSF

ZINC41527418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 0.71 3.29 -11.49 1 8 0 99 295.324 5
Hi High (pH 8-9.5) 0.77 1.68 -44.65 0 8 -1 105 294.316 5

Activity (Go SEA)

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