UCSF

ZINC40379281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 29 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) 4.52 15.64 -91.68 2 5 2 38 389.547 5
Mid Mid (pH 6-8) 4.52 15.97 -43.73 1 5 1 37 388.539 5
Mid Mid (pH 6-8) 4.52 13.75 -7.56 0 5 0 35 387.531 5
Mid Mid (pH 6-8) 4.52 13.4 -29.27 1 5 1 37 388.539 5

Activity (Go SEA)

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