UCSF

ZINC59065349

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.60 8.54 -11.63 1 8 0 89 456.539 6
Mid Mid (pH 6-8) 2.60 10.1 -52.56 2 8 1 90 457.547 6

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