UCSF

ZINC39233340

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 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) 2.23 4.01 -105.63 4 2 2 32 196.338 0
Mid Mid (pH 6-8) 2.23 3.76 -29.78 3 2 1 30 195.33 0

Activity (Go SEA)

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