UCSF

ZINC58281156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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) 1.43 8.15 -16.71 0 7 0 69 328.372 6
Mid Mid (pH 6-8) 1.43 10.49 -58.99 1 7 1 71 329.38 6

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

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