UCSF

ZINC44126040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 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) 2.77 6.24 -16.38 1 3 0 57 204.273 5
Hi High (pH 8-9.5) 3.22 4.42 -45.52 0 3 -1 60 203.265 5

Activity (Go SEA)

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