UCSF

ZINC49821822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 17 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) -0.15 5.19 -48.24 1 4 1 44 231.323 4
Mid Mid (pH 6-8) -0.15 2.93 -9.19 0 4 0 43 230.315 4
Mid Mid (pH 6-8) -0.15 5.21 -52.6 1 4 1 44 231.323 4

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

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