UCSF

ZINC28233340

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 22 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) 4.57 10.47 -45.17 2 2 1 26 288.37 3
Mid Mid (pH 6-8) 4.57 9.26 -6.08 1 2 0 21 287.362 3

Activity (Go SEA)

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