UCSF

ZINC59486240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 28 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) 2.58 7.69 -62.71 4 7 1 102 409.89 10
Hi High (pH 8-9.5) 2.58 7.24 -18.62 3 7 0 100 408.882 10

Activity (Go SEA)

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