UCSF

ZINC95080446

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) 0.38 5.33 -61.69 3 4 0 71 222.288 5
Lo Low (pH 4.5-6) 0.38 3.9 -51.48 4 4 1 68 223.296 5

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

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