UCSF

ZINC20278705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 3.26 6.52 -25.75 4 3 1 52 244.362 2
Mid Mid (pH 6-8) 3.26 6.45 -6.06 3 3 0 51 243.354 2

Activity (Go SEA)

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