UCSF

ZINC06812745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 1.92 9.1 -69.19 2 8 0 107 425.485 8
Hi High (pH 8-9.5) 1.92 6.65 -53.56 1 8 -1 106 424.477 8
Mid Mid (pH 6-8) 2.37 8.59 -48.28 3 8 1 104 426.493 7
Mid Mid (pH 6-8) 1.34 9.19 -49.98 2 8 1 101 426.493 8

Activity (Go SEA)

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