UCSF

ZINC03705640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 11 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) 0.99 4.42 -42.38 3 1 1 28 215.114 1
Hi High (pH 8-9.5) 0.99 4.09 -2.65 2 1 0 26 214.106 1

Activity (Go SEA)

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