UCSF

ZINC49302879

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 0.46 4.16 -42.42 2 5 1 57 240.327 4
Hi High (pH 8-9.5) 0.46 5.29 -59.82 1 5 0 60 239.319 4
Hi High (pH 8-9.5) 0.46 2 -9.21 1 5 0 56 239.319 4

Activity (Go SEA)

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