UCSF

ZINC62952152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.66 5.52 -92.06 4 4 2 52 257.422 6
Hi High (pH 8-9.5) 0.66 3.32 -45.31 3 4 1 51 256.414 6

Activity (Go SEA)

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