UCSF

ZINC49551002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 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) 3.98 5.78 -10.31 2 6 0 81 384.819 6
Mid Mid (pH 6-8) 3.98 6.69 -51.67 1 6 -1 84 383.811 6

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

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