UCSF

ZINC34653120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 3.32 4.74 -8.77 2 3 0 49 239.702 3
Hi High (pH 8-9.5) 3.32 5.75 -50.75 1 3 -1 52 238.694 3

Activity (Go SEA)

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