UCSF

ZINC24988816

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 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) 4.26 7.05 -25.23 2 4 0 57 368.26 6
Hi High (pH 8-9.5) 4.26 7.7 -51.81 1 4 -1 60 367.252 6
Mid Mid (pH 6-8) 4.26 6.4 -34.1 3 4 1 54 369.268 6

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

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