UCSF

ZINC62463512

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 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) 1.64 4.76 -38.87 2 5 1 55 285.408 8
Mid Mid (pH 6-8) 1.64 3.34 -4.47 1 5 0 51 284.4 8
Lo Low (pH 4.5-6) 1.64 5.43 -36.07 2 5 1 52 285.408 8

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

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