UCSF

ZINC12843714

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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 5.71 -17.67 2 6 0 83 355.419 6
Ref Reference (pH 7) 2.28 6.65 -10.01 2 6 0 83 355.419 5
Hi High (pH 8-9.5) 2.81 5.58 -42.65 1 6 -1 85 354.411 6
Lo Low (pH 4.5-6) 2.81 6.82 -37.4 3 6 1 85 356.427 6

Activity (Go SEA)

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