UCSF

ZINC40149051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 1.22 7.22 -17.49 1 7 0 86 356.426 4
Hi High (pH 8-9.5) 1.67 4.5 -62.93 0 7 -1 89 355.418 4

Activity (Go SEA)

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