UCSF

ZINC49548323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 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) 3.02 2.43 -58.89 4 5 1 90 316.453 3
Hi High (pH 8-9.5) 2.10 1.48 -52.07 2 5 -1 87 314.437 4
Mid Mid (pH 6-8) 2.10 1.88 -85.26 3 5 0 89 315.445 4

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

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