UCSF

ZINC52232784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 1.15 6.16 -7.96 0 3 0 39 193.246 5
Lo Low (pH 4.5-6) 1.15 6.69 -34.65 1 3 1 40 194.254 5

Activity (Go SEA)

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