UCSF

ZINC39296413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 Yes

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) 3.73 11.92 -49.24 1 4 1 36 379.553 6
Mid Mid (pH 6-8) 3.73 9.65 -12 0 4 0 35 378.545 6

Activity (Go SEA)

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