UCSF

ZINC49513020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.70 6.3 -38.57 3 6 1 68 375.415 7
Hi High (pH 8-9.5) 1.88 4.81 -31.61 2 6 0 74 374.407 7
Hi High (pH 8-9.5) 1.70 4.66 -7 2 6 0 66 374.407 7

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

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