UCSF

ZINC63952446

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.27 0.92 -56.02 2 10 -1 142 378.39 6
Hi High (pH 8-9.5) 1.26 1.56 -60.44 2 10 -1 137 378.39 5
Mid Mid (pH 6-8) 1.27 0.56 -146.9 1 10 -2 140 377.382 6

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

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