UCSF

ZINC48767204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) 2.66 5.18 -15.33 2 5 0 75 294.376 6
Mid Mid (pH 6-8) 3.11 2.55 -49.7 1 5 -1 78 293.368 6

Activity (Go SEA)

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