UCSF

ZINC37870122

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 1.92 2.1 -45.31 4 5 1 78 316.175 5
Mid Mid (pH 6-8) 1.92 0.98 -9.15 3 5 0 74 315.167 5

Activity (Go SEA)

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