UCSF

ZINC37869289

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) 1.58 1.62 -42.92 4 5 1 78 271.724 4
Mid Mid (pH 6-8) 1.58 0.74 -8.61 3 5 0 74 270.716 4

Activity (Go SEA)

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