UCSF

ZINC67446977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 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) 3.32 11.99 -169.52 4 5 3 51 356.538 7
Hi High (pH 8-9.5) 3.32 11.19 -41.12 2 5 1 49 354.522 7
Mid Mid (pH 6-8) 3.32 11.66 -102.16 3 5 2 50 355.53 7
Mid Mid (pH 6-8) 3.32 11.59 -84.9 3 5 2 50 355.53 7

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

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