UCSF

ZINC39869942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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) 4.60 9.52 -201.84 0 8 -3 134 421.41 8
Mid Mid (pH 6-8) 4.60 10.02 -126.84 1 8 -2 131 422.418 8

Activity (Go SEA)

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