UCSF

ZINC57999658

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 0.00 -1.13 -13.76 3 7 0 91 240.263 1
Hi High (pH 8-9.5) 0.18 -3.77 -45.38 2 7 -1 97 239.255 1

Activity (Go SEA)

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