UCSF

ZINC34653537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.78 3.14 -53.96 4 5 1 77 287.339 4
Hi High (pH 8-9.5) 2.78 4.12 -87.16 3 5 0 80 286.331 4

Activity (Go SEA)

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