UCSF

ZINC42767332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.51 5.92 -91.34 5 4 2 69 236.363 4
Hi High (pH 8-9.5) 1.51 5.94 -30.59 4 4 1 67 235.355 4

Activity (Go SEA)

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