UCSF

ZINC90694475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2013 29 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) 3.57 8.39 -50.04 2 5 -1 90 409.449 11
Lo Low (pH 4.5-6) 3.57 6.42 -12.53 3 5 0 87 410.457 11

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

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