UCSF

ZINC48614730

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 2.43 8.44 -37.96 1 3 1 25 255.407 7
Hi High (pH 8-9.5) 2.43 6.18 -9 0 3 0 24 254.399 7

Activity (Go SEA)

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