UCSF

ZINC34963830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.31 7.46 -132.5 4 2 2 32 274.33 4
Hi High (pH 8-9.5) 2.31 5.66 -50.69 3 2 1 31 273.322 4
Hi High (pH 8-9.5) 2.31 6.99 -32.72 3 2 1 30 273.322 4

Activity (Go SEA)

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