UCSF

ZINC66378349

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 0.70 5.53 -48.77 1 5 1 47 258.367 7
Hi High (pH 8-9.5) 0.70 3.25 -16.9 0 5 0 46 257.359 7

Activity (Go SEA)

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