UCSF

ZINC65493809

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 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) 1.87 5.44 -45.63 2 6 1 63 312.434 5
Hi High (pH 8-9.5) 1.87 4.2 -13.75 1 6 0 62 311.426 5
Lo Low (pH 4.5-6) 1.87 7.71 -95.43 3 6 2 64 313.442 5

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

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