UCSF

ZINC61455797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 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) 3.14 6.47 -4.62 2 4 0 51 263.385 6
Lo Low (pH 4.5-6) 3.14 6.06 -15.05 3 4 0 53 264.393 6

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

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