UCSF

ZINC51480815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 1.66 6.9 -46.22 2 5 1 59 306.459 7
Hi High (pH 8-9.5) 1.66 5.52 -11.27 1 5 0 54 305.451 7
Lo Low (pH 4.5-6) 1.66 7.16 -100.58 3 5 2 60 307.467 7

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

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