UCSF

ZINC36637793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 35 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) 6.46 15.3 -40.65 1 5 1 51 505.664 8
Hi High (pH 8-9.5) 6.46 13.22 -9.12 0 5 0 49 504.656 8

Activity (Go SEA)

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