UCSF

ZINC49510858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) -0.15 2.89 -10.27 1 6 0 59 238.291 3
Mid Mid (pH 6-8) -0.15 5.27 -49.38 2 6 1 61 239.299 3
Lo Low (pH 4.5-6) -0.15 5.8 -96.17 3 6 2 62 240.307 3

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

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