UCSF

ZINC58340950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 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) 1.83 4.18 -199.42 1 8 -3 144 321.29 5
Mid Mid (pH 6-8) 1.83 4.15 -101.4 2 8 -2 142 322.298 5

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

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