UCSF

ZINC31946051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 2.10 4.78 -8.38 0 3 0 24 232.755 5
Mid Mid (pH 6-8) 2.10 7.11 -48.67 1 3 1 25 233.763 5

Activity (Go SEA)

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