UCSF

ZINC12758168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 3.29 12.26 -16.91 1 5 0 52 434.59 6
Mid Mid (pH 6-8) 3.29 12.72 -44.52 2 5 1 53 435.598 6

Activity (Go SEA)

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