UCSF

ZINC08309261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 24 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) 2.84 4.6 -43.76 3 6 1 72 348.345 9
Hi High (pH 8-9.5) 2.66 1.4 -40.58 1 6 -1 77 346.329 9
Hi High (pH 8-9.5) 2.84 2.69 -16.17 2 6 0 71 347.337 9

Activity (Go SEA)

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