UCSF

ZINC39260055

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 5.53 12.65 -6.97 0 1 0 13 283.374 4
Lo Low (pH 4.5-6) 5.53 13.01 -34.46 1 1 1 14 284.382 4

Activity (Go SEA)

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