UCSF

ZINC13207413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 14 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) 2.24 7.71 -6.97 0 5 0 63 211.608 1
Mid Mid (pH 6-8) 2.24 8.15 -34.6 1 5 1 64 212.616 1

Activity (Go SEA)

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