UCSF

ZINC68954894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 13 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) 1.20 5.63 -100.97 3 2 2 21 184.327 3
Hi High (pH 8-9.5) 1.20 3.67 -37.07 2 2 1 20 183.319 3
Hi High (pH 8-9.5) 1.20 2.11 -0.92 1 2 0 15 182.311 3
Mid Mid (pH 6-8) 1.20 4.27 -28.13 2 2 1 16 183.319 3

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

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