UCSF

ZINC20235514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 4.89 13.28 -17.31 1 5 0 58 438.575 4
Mid Mid (pH 6-8) 4.89 13.57 -38.98 2 5 1 59 439.583 4

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

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