UCSF

ZINC19733947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 2.79 6.88 -9.23 2 3 0 43 241.269 1
Lo Low (pH 4.5-6) 2.79 7.33 -29 3 3 1 45 242.277 1

Activity (Go SEA)

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