UCSF

ZINC43911929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.27 7.27 -114.56 3 3 2 30 238.375 7
Hi High (pH 8-9.5) 2.27 6.2 -33.37 2 3 1 26 237.367 7
Mid Mid (pH 6-8) 2.27 5.36 -34.41 2 3 1 29 237.367 7

Activity (Go SEA)

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