UCSF

ZINC37870260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.41 3.01 -35.36 4 3 1 60 211.26 5
Mid Mid (pH 6-8) 1.41 1.96 -6.94 3 3 0 55 210.252 5

Activity (Go SEA)

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