UCSF

ZINC06786160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 3.20 8.3 -52.06 0 5 -1 70 388.802 6
Mid Mid (pH 6-8) 3.65 0.62 -20.79 1 5 0 66 389.81 5
Mid Mid (pH 6-8) 2.62 0.39 -13.01 0 5 0 63 389.81 6

Activity (Go SEA)

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