UCSF

ZINC05772434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 24 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) 5.20 6.39 -8.93 2 5 0 78 400.257 1
Mid Mid (pH 6-8) 4.70 6.72 -17.98 2 5 0 75 400.257 2
Mid Mid (pH 6-8) 5.65 4.46 -40.48 1 5 -1 81 399.249 1
Mid Mid (pH 6-8) 5.65 4.59 -46.11 1 5 -1 81 399.249 1
Mid Mid (pH 6-8) 6.11 2.62 -104.78 0 5 -2 84 398.241 1

Activity (Go SEA)

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