UCSF

ZINC52813003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.83 5.99 -26.99 3 3 1 43 224.353 1
Mid Mid (pH 6-8) 1.83 5.53 -5.18 2 3 0 42 223.345 1

Activity (Go SEA)

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