UCSF

ZINC41681122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.73 7.01 -38.11 3 4 1 53 294.444 2
Mid Mid (pH 6-8) 2.73 6.56 -11.38 2 4 0 51 293.436 2

Activity (Go SEA)

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