UCSF

ZINC62038470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 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) 6.16 7.3 -16.88 3 6 0 95 457.621 5
Hi High (pH 8-9.5) 6.62 5.93 -49.03 2 6 -1 98 456.613 5

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

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