UCSF

ZINC41998634

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -0.60 1.46 -20.48 2 8 0 96 279.3 4
Mid Mid (pH 6-8) -0.42 -1.16 -53.18 1 8 -1 103 278.292 4
Lo Low (pH 4.5-6) -0.60 1.59 -43.89 3 8 1 98 280.308 4

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

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