UCSF

ZINC75876046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2012 20 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) 1.57 5.06 -98.71 5 5 2 68 275.4 1
Hi High (pH 8-9.5) 1.57 3.73 -24.64 4 5 1 63 274.392 1
Mid Mid (pH 6-8) 1.57 5.51 -172.91 6 5 3 69 276.408 1

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

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