UCSF

ZINC36783417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.97 5.51 -115.67 4 4 2 51 280.412 7
Hi High (pH 8-9.5) 1.97 5.26 -28.27 3 4 1 49 279.404 7
Hi High (pH 8-9.5) 1.97 3.72 -43.5 3 4 1 49 279.404 7

Activity (Go SEA)

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