UCSF

ZINC37869857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.98 0.95 -40.17 4 4 1 69 231.222 5
Mid Mid (pH 6-8) 0.98 -0.14 -10.51 3 4 0 64 230.214 5

Activity (Go SEA)

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