UCSF

ZINC43992545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.02 10.86 -100.29 3 3 2 36 259.397 6
Mid Mid (pH 6-8) 3.02 10.34 -41.02 2 3 1 34 258.389 6

Activity (Go SEA)

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