UCSF

ZINC91480736

Substance Information

In ZINC since Heavy atoms Benign functionality
June 3rd, 2013 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) 2.24 4.27 -11.73 4 5 0 84 298.268 3
Mid Mid (pH 6-8) 2.24 4.26 -12.26 4 5 0 84 298.268 3
Lo Low (pH 4.5-6) 2.24 4.39 -39.48 5 5 1 85 299.276 3

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

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