UCSF

ZINC44514502

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) -0.30 1.77 -114.16 4 4 2 66 236.381 5
Mid Mid (pH 6-8) -0.30 -0.46 -53.88 3 4 1 65 235.373 5

Activity (Go SEA)

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