UCSF

ZINC09086005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 3.65 9.69 -59.51 0 6 -1 83 447.898 7
Mid Mid (pH 6-8) 4.10 9.54 -31.86 1 6 0 80 448.906 6
Mid Mid (pH 6-8) 3.07 10.55 -23.19 0 6 0 77 448.906 7

Activity (Go SEA)

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