UCSF

ZINC01785166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 42 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) 8.37 19.84 -15.35 1 7 0 69 552.682 6
Hi High (pH 8-9.5) 8.37 19.25 -52.83 0 7 -1 71 551.674 6
Mid Mid (pH 6-8) 8.37 20.28 -28.95 2 7 1 71 553.69 6

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

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