UCSF

ZINC68890602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) 2.14 8.94 -44.66 1 4 0 58 220.272 4
Mid Mid (pH 6-8) 2.14 8.48 -48.14 0 4 -1 56 219.264 4

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

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