UCSF

ZINC49454819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 11 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) 2.15 5.16 -38.21 2 1 1 17 168.285 0
Hi High (pH 8-9.5) 2.15 3.84 -2.44 1 1 0 12 167.277 0

Activity (Go SEA)

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