UCSF

ZINC38569847

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 18 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) -0.85 -1.35 -43.52 0 7 -1 93 242.218 2
Lo Low (pH 4.5-6) -0.85 -0.88 -47.56 1 7 0 95 243.226 2

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

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