UCSF

ZINC37835499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.13 7.86 -52.43 1 6 0 80 277.324 4
Mid Mid (pH 6-8) 0.13 7.39 -45.74 0 6 -1 78 276.316 4
Lo Low (pH 4.5-6) 0.13 5.83 -30.67 2 6 1 77 278.332 4

Activity (Go SEA)

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