UCSF

ZINC43337074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.02 6.43 -37.31 3 3 1 50 246.33 5
Hi High (pH 8-9.5) 3.02 6.14 -4.19 2 3 0 48 245.322 5

Activity (Go SEA)

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