UCSF

ZINC49544230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 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) 2.80 6.61 -99.53 4 3 2 41 284.469 8
Mid Mid (pH 6-8) 2.80 7.13 -35.97 3 3 1 44 283.461 8
Mid Mid (pH 6-8) 2.80 5.4 -33.81 3 3 1 37 283.461 8
Mid Mid (pH 6-8) 2.80 4.07 -36.66 3 3 1 40 283.461 8

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

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