UCSF

ZINC39017409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 12 No

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) 0.95 -1.49 -8.38 2 4 0 70 163.132 0
Hi High (pH 8-9.5) 0.95 -0.71 -35.47 1 4 -1 73 162.124 0

Activity (Go SEA)

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