UCSF

ZINC41045492

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 Yes

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) 1.31 4.1 -43.98 3 3 1 42 198.265 6
Lo Low (pH 4.5-6) 1.31 4.59 -89.33 4 3 2 43 199.273 6

Activity (Go SEA)

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