UCSF

ZINC95080394

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 16 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) 2.01 5.59 -51.5 2 2 1 29 219.283 1
Ref Reference (pH 7) 2.01 5.59 -51.51 2 2 1 29 219.283 1
Lo Low (pH 4.5-6) 2.01 6.02 -102.7 3 2 2 31 220.291 1
Lo Low (pH 4.5-6) 2.01 6.02 -102.72 3 2 2 31 220.291 1

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

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