UCSF

ZINC20246728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 1.11 4.73 -44.21 4 5 1 76 259.333 5
Hi High (pH 8-9.5) 1.11 2.35 -11.54 3 5 0 75 258.325 5

Activity (Go SEA)

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