UCSF

ZINC31977319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.44 0.57 -8.9 1 4 0 49 179.223 2
Mid Mid (pH 6-8) 0.44 0.59 -26.49 2 4 1 50 180.231 2

Activity (Go SEA)

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