UCSF

ZINC43425142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.33 2.07 -2.09 2 3 0 38 224.348 1
Mid Mid (pH 6-8) 1.33 3.95 -118.57 4 3 2 41 226.364 1
Lo Low (pH 4.5-6) 1.33 4.26 -29.28 3 3 1 40 225.356 1

Activity (Go SEA)

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