UCSF

ZINC12542005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 21 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) 2.19 5.31 -51.22 3 4 1 59 287.383 8
Lo Low (pH 4.5-6) 2.19 5.59 -110.61 4 4 2 60 288.391 8

Activity (Go SEA)

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