UCSF

ZINC42729435

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 3.61 6.39 -35.61 2 1 1 17 198.355 4
Hi High (pH 8-9.5) 3.61 5.65 -1.65 1 1 0 12 197.347 4

Activity (Go SEA)

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