UCSF

ZINC00751876

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 Yes

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) 4.16 -2.16 -15.02 1 5 0 76 369.442 3
Hi High (pH 8-9.5) 4.16 -1.58 -55.07 0 5 -1 78 368.434 3

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

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