UCSF

ZINC05376032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 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) 5.61 6.5 -44.57 0 5 -1 70 368.825 1
Ref Reference (pH 7) 4.66 8.25 -40.66 0 5 -1 66 368.825 2
Mid Mid (pH 6-8) 5.16 8.33 -8.69 1 5 0 67 369.833 1
Mid Mid (pH 6-8) 5.16 8.76 -8.3 1 5 0 67 369.833 1

Activity (Go SEA)

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