UCSF

ZINC09379757

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 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) 5.32 13.65 -63.98 0 4 -1 60 448.42 6
Mid Mid (pH 6-8) 5.32 13.04 -24.9 1 4 0 58 449.428 5
Mid Mid (pH 6-8) 4.74 3.49 -25.92 0 4 0 54 449.428 6

Activity (Go SEA)

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