UCSF

ZINC18193735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 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) 5.10 5.62 -43.85 1 5 -1 74 418.292 5
Hi High (pH 8-9.5) 5.10 6.4 -89.71 0 5 -2 76 417.284 5
Hi High (pH 8-9.5) 5.59 6.97 -38.04 1 5 -1 78 418.292 4
Hi High (pH 8-9.5) 5.59 6.57 -38.76 1 5 -1 78 418.292 4
Hi High (pH 8-9.5) 6.05 3.76 -48.3 1 5 -1 78 418.292 4
Hi High (pH 8-9.5) 6.05 4.44 -48.06 1 5 -1 78 418.292 4

Activity (Go SEA)

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