UCSF

ZINC37020037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.60 6.24 -48.94 3 5 1 62 289.403 3
Mid Mid (pH 6-8) 1.60 6.56 -85.85 4 5 2 63 290.411 3

Activity (Go SEA)

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