UCSF

ZINC19803124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

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) 2.48 7.61 -43.94 2 6 1 79 300.766 7
Hi High (pH 8-9.5) 2.48 5.39 -9.21 1 6 0 78 299.758 7

Activity (Go SEA)

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