UCSF

ZINC57099852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 25 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) 3.28 14.35 -49.35 1 5 1 51 378.953 8
Mid Mid (pH 6-8) 3.28 12.71 -11.73 0 5 0 50 377.945 8

Activity (Go SEA)

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