UCSF

ZINC65318842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 30 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) 2.71 5.45 -21.19 1 9 0 122 427.486 4
Hi High (pH 8-9.5) 2.53 4.99 -54.7 0 9 -1 120 426.478 5

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

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