UCSF

ZINC65535309

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.66 8.89 -43.24 1 5 1 37 330.481 3
Hi High (pH 8-9.5) 1.66 6.48 -5.99 0 5 0 35 329.473 3
Lo Low (pH 4.5-6) 1.66 11.12 -98.36 2 5 2 38 331.489 3

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

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