UCSF

ZINC96007012

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2014 26 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) 4.40 7.07 -13.62 2 6 0 85 366.398 4
Hi High (pH 8-9.5) 4.40 7.98 -54.96 1 6 -1 87 365.39 4

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

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