UCSF

ZINC41192037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 4.18 7.9 -4.46 1 2 0 25 355.276 4
Mid Mid (pH 6-8) 4.18 8.83 -37.62 2 2 1 29 356.284 4

Activity (Go SEA)

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