UCSF

ZINC71149248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 18 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) 1.40 3.45 -45.21 2 4 1 40 288.824 4
Hi High (pH 8-9.5) 1.40 2.09 -7.94 1 4 0 36 287.816 4

Activity (Go SEA)

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