UCSF

ZINC53603698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 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) 3.10 7.52 -41.2 1 4 1 26 347.401 10
Mid Mid (pH 6-8) 3.10 7.53 -38.8 1 4 1 26 347.401 10
Mid Mid (pH 6-8) 3.10 5.26 -7.23 0 4 0 25 346.393 10

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

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