UCSF

ZINC06239992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 30 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) 4.79 10.39 -56.64 0 5 -1 70 418.856 5
Mid Mid (pH 6-8) 4.79 0.79 -12.18 1 5 0 66 419.864 5
Mid Mid (pH 6-8) 4.20 0.62 -11.66 0 5 0 63 419.864 5

Activity (Go SEA)

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