UCSF

ZINC01120618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 2.79 7.03 -13.56 1 6 0 80 432.27 5
Mid Mid (pH 6-8) 2.21 7.74 -19.17 0 6 0 77 432.27 5

Activity (Go SEA)

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