UCSF

ZINC12747714

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 24 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) 2.36 8.54 -21.52 1 8 0 106 343.368 4
Mid Mid (pH 6-8) 2.36 8.87 -44.2 2 8 1 107 344.376 4

Activity (Go SEA)

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