UCSF

ZINC62807709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.04 3.94 -51.63 3 6 1 84 286.359 4
Hi High (pH 8-9.5) 2.04 3.69 -11.13 2 6 0 83 285.351 4
Mid Mid (pH 6-8) 2.04 4.26 -86.39 4 6 2 86 287.367 4

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

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