UCSF

ZINC20760581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 33 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) 3.05 10.53 -30.45 2 8 0 102 443.507 8
Mid Mid (pH 6-8) 3.05 11 -55.82 3 8 1 103 444.515 8

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

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