UCSF

ZINC20331295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 4.35 5.38 -89.62 0 6 -2 98 423.639 2
Lo Low (pH 4.5-6) 4.35 4.71 -43.19 1 6 -1 95 424.647 2

Activity (Go SEA)

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