UCSF

ZINC35051686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) 2.62 6.44 -6.37 1 2 0 29 194.237 1
Lo Low (pH 4.5-6) 2.62 6.89 -37.38 2 2 1 30 195.245 1

Activity (Go SEA)

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