UCSF

ZINC08407492

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 5.66 8.85 -11.01 1 5 0 64 445.338 5
Ref Reference (pH 7) 5.66 9.24 -10.63 1 5 0 64 445.338 5
Hi High (pH 8-9.5) 5.66 9.77 -48.88 0 5 -1 67 444.33 5
Mid Mid (pH 6-8) 5.66 10.2 -49 0 5 -1 67 444.33 5

Activity (Go SEA)

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