UCSF

ZINC33819142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 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) 2.80 6.44 -15.47 2 6 0 74 350.422 4
Lo Low (pH 4.5-6) 2.80 7.28 -30.27 3 6 1 75 351.43 4

Activity (Go SEA)

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