UCSF

ZINC39891656

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.42 9.41 -47.16 0 4 -1 61 444.355 4
Mid Mid (pH 6-8) 5.42 9.02 -11.55 1 4 0 59 445.363 4

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