UCSF

ZINC53033043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 19 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) 2.75 6.94 -79.23 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.75 7.19 -99.29 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.75 9.4 -189.07 4 3 3 25 270.485 6
Mid Mid (pH 6-8) 2.75 4.71 -34.88 2 3 1 23 268.469 6

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

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