UCSF

ZINC52885870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 Yes

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) -1.25 2.59 -58.72 2 6 1 60 227.288 2
Mid Mid (pH 6-8) -1.25 1.29 -17.57 1 6 0 56 226.28 2

Activity (Go SEA)

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