UCSF

ZINC43993952

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.14 8.36 -98 3 3 2 36 251.418 4
Hi High (pH 8-9.5) 3.14 7.89 -43.34 2 3 1 34 250.41 4

Activity (Go SEA)

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