UCSF

ZINC62977706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.31 7.13 -89.18 4 3 2 35 309.523 4
Hi High (pH 8-9.5) 2.31 6.72 -32.24 3 3 1 34 308.515 4
Hi High (pH 8-9.5) 2.31 4.97 -35.99 3 3 1 34 308.515 4
Hi High (pH 8-9.5) 2.31 4.55 -2.65 2 3 0 32 307.507 4

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

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