UCSF

ZINC37128093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.37 10.37 -41.64 2 1 1 17 288.411 3
Mid Mid (pH 6-8) 3.37 9.45 -4.74 1 1 0 12 287.403 3

Activity (Go SEA)

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