UCSF

ZINC37716224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) -0.12 -0.34 -16.59 2 6 0 79 319.333 4
Hi High (pH 8-9.5) -0.12 -0.72 -56.14 1 6 -1 81 318.325 4
Mid Mid (pH 6-8) -0.12 0.96 -58.62 3 6 1 83 320.341 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.