UCSF

ZINC70330084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 No

Download: MOL2 SDF SMILES Flexibase

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) 1.10 5.03 -13.02 1 4 0 58 277.295 1
Hi High (pH 8-9.5) 1.10 5.78 -55.78 0 4 -1 60 276.287 1

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

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