UCSF

ZINC43994151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 1.64 8.14 -94.52 3 3 2 36 223.364 3
Hi High (pH 8-9.5) 1.64 7.67 -40.56 2 3 1 34 222.356 3

Activity (Go SEA)

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