UCSF

ZINC69908576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 14 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) 1.28 2.88 -1.87 1 2 0 15 214.378 1
Mid Mid (pH 6-8) 1.28 4.2 -41.56 2 2 1 20 215.386 1
Lo Low (pH 4.5-6) 1.28 5.07 -33.13 2 2 1 16 215.386 1
Lo Low (pH 4.5-6) 1.28 6.41 -112.47 3 2 2 21 216.394 1

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

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