UCSF

ZINC65522290

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) 3.30 5.93 -22.11 2 5 0 71 343.452 5
Mid Mid (pH 6-8) 3.30 5.53 -39.95 1 5 -1 73 342.444 5
Lo Low (pH 4.5-6) 3.30 6.92 -57.03 3 5 1 75 344.46 5

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

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