UCSF

ZINC39058237

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) -0.48 0.65 -43.26 3 4 1 63 162.209 7
Mid Mid (pH 6-8) -0.48 -0.69 -6.8 2 4 0 59 161.201 7

Activity (Go SEA)

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