UCSF

ZINC69761650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.92 3.45 -39.97 2 3 1 33 258.436 4
Hi High (pH 8-9.5) 0.92 2.01 -4.57 1 3 0 28 257.428 4
Mid Mid (pH 6-8) 0.92 5.5 -91.18 3 3 2 34 259.444 4

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

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