UCSF

ZINC04116552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 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) -0.94 0.2 -7.46 2 5 0 71 207.233 4
Lo Low (pH 4.5-6) -0.94 0.48 -37.61 3 5 1 72 208.241 4

Activity (Go SEA)

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