UCSF

ZINC62807976

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 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) 1.47 4.84 -60.88 4 5 1 78 287.387 6
Mid Mid (pH 6-8) 1.47 3.65 -15.44 3 5 0 73 286.379 6
Lo Low (pH 4.5-6) 1.47 5.03 -100.12 5 5 2 79 288.395 6

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

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