UCSF

ZINC49580977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 23 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) 1.28 2.48 -53.98 1 8 -1 111 354.437 6
Lo Low (pH 4.5-6) 1.46 4.05 -21.04 2 8 0 104 355.445 6

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

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