UCSF

ZINC41238469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.94 -3.15 -17.89 2 9 0 115 365.481 6
Mid Mid (pH 6-8) -0.94 -0.79 -59.21 3 9 1 117 366.489 6

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

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