UCSF

ZINC36640516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) 6.68 13.38 -36.22 1 7 1 65 506.648 11
Hi High (pH 8-9.5) 6.68 11.75 -16.55 0 7 0 64 505.64 11

Activity (Go SEA)

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