UCSF

ZINC39123869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 4.22 -1 -32.13 1 4 -1 68 240.182 3
Mid Mid (pH 6-8) 4.22 -1.14 -7.33 2 4 0 66 241.19 3

Activity (Go SEA)

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