UCSF

ZINC43403876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 No

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) -1.08 3.16 -63.93 2 8 1 101 240.243 3
Mid Mid (pH 6-8) -1.08 1.87 -17.5 1 8 0 96 239.235 3

Activity (Go SEA)

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