UCSF

ZINC62968207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 2.55 6.11 -33.63 2 3 1 28 289.443 4
Mid Mid (pH 6-8) 2.55 5.83 -34.68 2 3 1 28 289.443 4
Lo Low (pH 4.5-6) 2.55 8.14 -106.68 3 3 2 29 290.451 4

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

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