UCSF

ZINC68948512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 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) 1.51 6.39 -40.89 2 4 1 46 221.328 6
Hi High (pH 8-9.5) 1.51 4.94 -8.58 1 4 0 41 220.32 6
Mid Mid (pH 6-8) 1.51 6.51 -105.13 3 4 2 47 222.336 6
Lo Low (pH 4.5-6) 1.51 6.5 -93.68 3 4 2 47 222.336 6

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

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