UCSF

ZINC28569525

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 20 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) 0.47 3.56 -75.73 1 6 -1 92 341.137 5
Lo Low (pH 4.5-6) 0.47 2.67 -36.96 2 6 0 95 342.145 5

Activity (Go SEA)

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