UCSF

ZINC39373497

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 0.34 4.77 -10.47 1 4 0 51 175.191 1
Hi High (pH 8-9.5) 0.34 5.53 -39.15 0 4 -1 54 174.183 1

Activity (Go SEA)

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