UCSF

ZINC20350504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 3.08 7.79 -6.02 1 3 0 30 243.354 5
Lo Low (pH 4.5-6) 3.08 7.92 -27.63 2 3 1 31 244.362 5

Activity (Go SEA)

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