UCSF

ZINC57291925

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 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) 2.02 7.68 -10.26 2 5 0 70 328.199 6
Mid Mid (pH 6-8) 2.02 8.14 -45.75 3 5 1 71 329.207 6
Lo Low (pH 4.5-6) 2.02 8.45 -118.52 4 5 2 73 330.215 6

Activity (Go SEA)

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