UCSF

ZINC42966241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 2.58 7.46 -32.71 1 5 1 52 274.344 3
Hi High (pH 8-9.5) 2.58 5.04 -7.47 0 5 0 51 273.336 3

Activity (Go SEA)

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