UCSF

ZINC62033784

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 15 No

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) 1.53 5.16 -10.34 0 4 0 38 229.711 6
Lo Low (pH 4.5-6) 1.53 5.24 -30.68 1 4 1 40 230.719 6
Lo Low (pH 4.5-6) 1.53 5.26 -31.34 1 4 1 40 230.719 6

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

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