UCSF

ZINC19325360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 29 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) 2.79 8.21 -8.12 0 4 0 36 381.479 3
Lo Low (pH 4.5-6) 2.79 10.16 -55.64 1 4 1 38 382.487 3
Lo Low (pH 4.5-6) 2.79 8.66 -44.33 1 4 1 38 382.487 3
Lo Low (pH 4.5-6) 2.79 10.61 -121.46 2 4 2 39 383.495 3

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

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