UCSF

ZINC04499985

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 25 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 2.55 -52.53 2 8 -1 119 356.387 6
Hi High (pH 8-9.5) 1.68 2.82 -42.95 2 8 -1 118 356.387 5
Mid Mid (pH 6-8) 1.51 2.53 -121.04 1 8 -2 117 355.379 6

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

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