UCSF

ZINC53125850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 1.58 3.22 -98.27 5 4 2 61 274.449 8
Mid Mid (pH 6-8) 1.58 0.42 -33.54 4 4 1 60 273.441 8

Activity (Go SEA)

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