UCSF

ZINC69845990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 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) 2.25 7.84 -11.47 0 4 0 36 311.429 7
Mid Mid (pH 6-8) 2.25 9.67 -34.11 1 4 1 38 312.437 7
Lo Low (pH 4.5-6) 2.25 9.73 -85.14 2 4 2 39 313.445 7

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

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