UCSF

ZINC39302802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 No

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) 1.73 6.76 -21.72 1 6 0 70 377.407 6
Hi High (pH 8-9.5) 1.91 4.61 -55.81 0 6 -1 76 376.399 6

Activity (Go SEA)

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