UCSF

ZINC42771012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.20 6.89 -35.96 1 3 1 31 202.318 6
Hi High (pH 8-9.5) 2.20 5.25 -3.97 0 3 0 30 201.31 6

Activity (Go SEA)

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