UCSF

ZINC62463589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 18 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) 0.70 -1.09 -9.53 3 5 0 68 255.362 6
Mid Mid (pH 6-8) 0.70 1.03 -46.06 4 5 1 69 256.37 6
Mid Mid (pH 6-8) 0.70 -0.1 -40.26 4 5 1 72 256.37 6
Lo Low (pH 4.5-6) 0.70 2 -112.48 5 5 2 73 257.378 6

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

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