UCSF

ZINC36369970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 No

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) 1.37 7.57 -18.86 1 6 0 66 393.418 3
Ref Reference (pH 7) 1.37 7.35 -16.1 1 6 0 66 393.418 3
Mid Mid (pH 6-8) 1.37 9.75 -60.46 2 6 1 67 394.426 3
Mid Mid (pH 6-8) 1.37 9.74 -58.76 2 6 1 67 394.426 3

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

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