UCSF

ZINC04135595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 15 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) 0.96 5.01 -12.19 0 4 0 52 222.269 3
Mid Mid (pH 6-8) 0.96 5.52 -43.6 1 4 1 53 223.277 3

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

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