UCSF

ZINC41679783

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.07 3.66 -49.11 3 4 1 57 255.382 1
Mid Mid (pH 6-8) 2.07 3.41 -5.61 2 4 0 56 254.374 1

Activity (Go SEA)

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