UCSF

ZINC62460456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 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) 0.85 4.58 -108.47 5 5 2 64 284.448 8
Hi High (pH 8-9.5) 0.85 2.36 -48.84 4 5 1 63 283.44 8
Lo Low (pH 4.5-6) 0.85 5.56 -186.22 6 5 3 69 285.456 8

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

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