UCSF

ZINC37800162

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.21 7.09 -43.87 3 3 1 48 301.863 8
Mid Mid (pH 6-8) 3.21 6.8 -6.58 2 3 0 46 300.855 8

Activity (Go SEA)

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