UCSF

ZINC64858249

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 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) 4.35 8.79 -47.93 2 4 -1 81 335.464 14
Lo Low (pH 4.5-6) 4.35 6.82 -9.88 3 4 0 78 336.472 14

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

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