UCSF

ZINC53428699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.75 9.53 -112.46 3 2 2 21 254.462 6
Hi High (pH 8-9.5) 3.75 8.43 -30.9 2 2 1 16 253.454 6
Mid Mid (pH 6-8) 3.75 7.62 -35.35 2 2 1 20 253.454 6

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

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