UCSF

ZINC62572642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 23 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) 2.18 4.03 -61.38 0 6 -1 78 351.429 3
Lo Low (pH 4.5-6) 2.18 3.99 -17.24 1 6 0 76 352.437 3

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

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