UCSF

ZINC20454889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 22 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) 2.88 9.33 -44.81 1 4 1 34 309.405 6
Hi High (pH 8-9.5) 2.88 7.68 -7.47 0 4 0 33 308.397 6

Activity (Go SEA)

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