UCSF

ZINC49237692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 2.11 3.35 -10.75 2 5 0 75 263.322 3
Mid Mid (pH 6-8) 2.11 4.35 -47.15 1 5 -1 78 262.314 3
Lo Low (pH 4.5-6) 2.11 3.82 -42.69 3 5 1 76 264.33 3

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

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