UCSF

ZINC13207749

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 18 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) 2.34 5.66 -8.02 1 3 0 46 236.274 1
Lo Low (pH 4.5-6) 2.34 5.94 -42.2 2 3 1 47 237.282 1

Activity (Go SEA)

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