UCSF

ZINC37824511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.20 2.81 -54.91 3 6 1 84 297.423 9
Mid Mid (pH 6-8) -0.20 2.51 -11.71 2 6 0 83 296.415 9
Mid Mid (pH 6-8) -0.20 5.08 -111.66 4 6 2 85 298.431 9

Activity (Go SEA)

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