UCSF

ZINC95496384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2013 31 Yes

Other Names:

MFCD01074522

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) 3.38 13.82 -65.82 3 5 0 94 415.489 9
Hi High (pH 8-9.5) 3.38 13.56 -53.32 2 5 -1 92 414.481 9

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

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