UCSF

ZINC18209038

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) 2.81 5.7 -17.69 2 6 0 83 355.419 6
Ref Reference (pH 7) 2.28 6.65 -10.05 2 6 0 83 355.419 5
Hi High (pH 8-9.5) 2.81 5.57 -42.69 1 6 -1 85 354.411 6
Lo Low (pH 4.5-6) 2.81 6.81 -37.45 3 6 1 85 356.427 6

Activity (Go SEA)

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