UCSF

ZINC43976831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.04 6.99 -42.74 2 3 1 34 235.351 6
Hi High (pH 8-9.5) 2.04 4.52 -6.71 1 3 0 32 234.343 6

Activity (Go SEA)

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