UCSF

ZINC19850616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 Yes

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) 2.85 9.77 -18.05 1 5 0 60 356.476 4
Hi High (pH 8-9.5) 3.04 8.71 -52.67 0 5 -1 66 355.468 4
Mid Mid (pH 6-8) 3.78 9.25 -31.74 2 5 1 64 357.484 3

Activity (Go SEA)

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