UCSF

ZINC67965987

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 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) 3.00 9.99 -42.35 1 4 1 34 349.539 3
Mid Mid (pH 6-8) 3.00 7.75 -8.43 0 4 0 33 348.531 3

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

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