UCSF

ZINC43401153

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.05 5.68 -36.78 4 5 1 81 270.36 5
Mid Mid (pH 6-8) 0.05 6.66 -8.46 3 5 0 79 269.352 5
Mid Mid (pH 6-8) 0.05 6.14 -79.67 5 5 2 82 271.368 5
Lo Low (pH 4.5-6) 0.05 6.57 -156.68 6 5 3 83 272.376 5

Activity (Go SEA)

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