UCSF

ZINC63114934

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 17 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) 0.41 5.15 -40.75 2 4 1 46 232.307 3
Hi High (pH 8-9.5) 0.41 2.77 -7.16 1 4 0 45 231.299 3

Activity (Go SEA)

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