UCSF

ZINC63244233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 17 No

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) -1.13 1.24 -58.92 1 8 -1 114 258.283 3
Lo Low (pH 4.5-6) -1.14 2.71 -18.54 2 8 0 111 259.291 2

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

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