UCSF

ZINC20373575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 2.45 4.02 -44.89 2 5 -1 87 326.81 4
Mid Mid (pH 6-8) 2.45 3.96 -22.65 3 5 0 85 327.818 4

Activity (Go SEA)

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