UCSF

ZINC42447233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.08 9.73 -10.02 1 4 0 37 240.376 3
Mid Mid (pH 6-8) 2.81 9.86 -44.97 0 4 -1 34 239.368 3

Activity (Go SEA)

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