UCSF

ZINC77265843

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 25 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) 3.47 8.48 -6.67 0 4 0 27 336.435 4
Mid Mid (pH 6-8) 3.47 10.68 -41.69 1 4 1 28 337.443 4

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

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