UCSF

ZINC09380610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 29 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) 5.69 11.85 -53.81 0 4 -1 60 512.177 4
Mid Mid (pH 6-8) 6.14 10.83 -25.06 1 4 0 58 513.185 3
Mid Mid (pH 6-8) 5.11 11.8 -18.9 0 4 0 54 513.185 4

Activity (Go SEA)

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