UCSF

ZINC53526276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 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) -1.12 1.95 -57.59 3 6 1 81 240.283 5
Hi High (pH 8-9.5) -0.67 -0.6 -70.12 2 6 0 84 239.275 5
Hi High (pH 8-9.5) -0.67 -1.93 -52.7 1 6 -1 79 238.267 5

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

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