UCSF

ZINC62602488

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 0.82 5.75 -14.63 2 7 0 93 295.368 8
Hi High (pH 8-9.5) 0.82 5.27 -39.7 1 7 -1 91 294.36 8
Mid Mid (pH 6-8) 0.82 6.78 -46.08 3 7 1 97 296.376 8
Mid Mid (pH 6-8) 0.82 6.28 -58.72 2 7 0 96 295.368 8

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

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