UCSF

ZINC69232235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.88 9.45 -48.16 2 5 1 56 378.496 6
Mid Mid (pH 6-8) 3.88 6.83 -11.21 1 5 0 54 377.488 6

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

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