UCSF

ZINC65587731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 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) 0.73 8.29 -17.59 1 7 0 80 339.399 6
Mid Mid (pH 6-8) 0.73 8.8 -43.35 2 7 1 81 340.407 6

Activity (Go SEA)

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