UCSF

ZINC62520012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) 1.40 4.49 -47.67 0 7 -1 87 383.49 11
Lo Low (pH 4.5-6) 1.40 4.33 -16.47 1 7 0 85 384.498 11

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

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