UCSF

ZINC42251609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.27 7.8 -34.2 1 4 1 34 269.409 5
Mid Mid (pH 6-8) 2.27 7.58 -37.58 1 4 1 34 269.409 5
Lo Low (pH 4.5-6) 2.27 9.98 -100.97 2 4 2 35 270.417 5

Activity (Go SEA)

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