UCSF

ZINC62571767

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 24 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) 0.88 0.34 -59.05 1 9 -1 116 368.42 4
Lo Low (pH 4.5-6) 0.88 0.96 -58.21 2 9 0 117 369.428 4

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

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