UCSF

ZINC49474940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 14 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) 1.46 5.05 -40.98 2 3 1 34 264.187 4
Hi High (pH 8-9.5) 1.64 2.73 -32.37 1 3 0 40 263.179 4

Activity (Go SEA)

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