UCSF

ZINC69671865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 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) 2.93 6.16 -34.8 2 2 1 20 225.4 6
Hi High (pH 8-9.5) 2.93 5.22 -0.56 1 2 0 15 224.392 6
Mid Mid (pH 6-8) 2.93 8.56 -107.95 3 2 2 21 226.408 6
Mid Mid (pH 6-8) 2.93 7.6 -30.67 2 2 1 16 225.4 6

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

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