UCSF

ZINC39223589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 13 No

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) 1.42 1.95 -9.66 1 4 0 64 180.159 3
Mid Mid (pH 6-8) 1.42 2.97 -45.61 0 4 -1 66 179.151 3

Activity (Go SEA)

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