UCSF

ZINC44405248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 39 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) 3.67 10.46 -11.26 1 9 0 104 543.657 12
Mid Mid (pH 6-8) 3.67 12.87 -38.55 2 9 1 105 544.665 12

Activity (Go SEA)

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