UCSF

ZINC13122786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 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) 0.93 4.3 -55.29 2 8 -1 113 383.38 6
Mid Mid (pH 6-8) 1.78 2.46 -17.21 3 8 0 114 384.388 6

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

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