UCSF

ZINC39333904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 1.99 1.44 -7.77 2 3 0 49 197.621 0
Hi High (pH 8-9.5) 1.99 2.2 -36.76 1 3 -1 52 196.613 0

Activity (Go SEA)

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