UCSF

ZINC43393087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 4.19 7.85 -40.24 2 2 1 29 261.414 3
Hi High (pH 8-9.5) 4.19 6.56 -5.14 1 2 0 25 260.406 3

Activity (Go SEA)

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