UCSF

ZINC62978263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 No

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) 1.03 4.33 -105.6 4 3 2 35 273.49 5
Hi High (pH 8-9.5) 1.03 2.18 -45.13 3 3 1 34 272.482 5
Mid Mid (pH 6-8) 1.03 4.36 -127.06 4 3 2 35 273.49 5

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

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