UCSF

ZINC20310405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 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) 3.32 6.78 -68.98 1 8 -1 102 479.553 9
Hi High (pH 8-9.5) 3.32 7.81 -135.39 0 8 -2 105 478.545 9
Mid Mid (pH 6-8) 3.32 9.11 -80.21 2 8 0 104 480.561 9

Activity (Go SEA)

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