UCSF

ZINC62598969

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 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) 2.62 6.55 -10.54 2 5 0 67 305.403 8
Mid Mid (pH 6-8) 2.62 7.59 -40.08 3 5 1 72 306.411 8
Lo Low (pH 4.5-6) 2.62 7.97 -94.52 4 5 2 73 307.419 8

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

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