UCSF

ZINC57174222

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 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) 3.20 10.73 -37.97 2 4 1 45 339.459 5
Hi High (pH 8-9.5) 3.20 8.51 -8.92 1 4 0 44 338.451 5

Activity (Go SEA)

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