UCSF

ZINC65536256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

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) 1.83 4.28 -160.62 4 7 3 79 329.428 7
Hi High (pH 8-9.5) 1.83 3.54 -107.92 3 7 2 78 328.42 7
Mid Mid (pH 6-8) 1.83 6.08 -287.55 5 7 4 81 330.436 7
Lo Low (pH 4.5-6) 1.83 5.81 -178.84 4 7 3 79 329.428 7

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

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