UCSF

ZINC04497835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 27 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) 3.08 4.66 -53.82 2 8 -1 119 384.441 5
Hi High (pH 8-9.5) 3.26 4.91 -43.81 2 8 -1 118 384.441 4
Mid Mid (pH 6-8) 3.08 4.62 -133.41 1 8 -2 117 383.433 5

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

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