UCSF

ZINC70193736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 17 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) 1.73 6.52 -97.75 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.73 4.06 -39 2 3 1 23 240.415 6
Mid Mid (pH 6-8) 1.73 5.66 -99.77 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.73 8.1 -196.75 4 3 3 25 242.431 6

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

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