UCSF

ZINC42373827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 3.58 10.14 -40.62 1 3 1 37 259.373 8
Hi High (pH 8-9.5) 3.58 8.05 -5.22 0 3 0 36 258.365 8

Activity (Go SEA)

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