UCSF

ZINC05497176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 16 No

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) 2.41 1.52 -5.52 0 4 0 52 266.384 9
Hi High (pH 8-9.5) 2.41 0.86 -44.19 0 4 -1 52 265.376 9
Hi High (pH 8-9.5) 2.41 -0.03 -124.1 0 4 -2 52 264.368 9

Activity (Go SEA)

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