UCSF

ZINC49752224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) -0.64 -0.44 -41.12 4 6 1 83 258.342 6

Activity (Go SEA)

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