UCSF

ZINC36960328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 0.79 4.37 -34.54 2 5 1 56 250.322 5
Mid Mid (pH 6-8) 0.79 5.57 -88.96 3 5 2 60 251.33 5

Activity (Go SEA)

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