UCSF

ZINC65525630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 26 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) 1.91 7.26 -64.13 0 7 -1 87 348.386 4
Lo Low (pH 4.5-6) 1.91 9.51 -96.33 1 7 0 88 349.394 4

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

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