UCSF

ZINC12495821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 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) 1.60 5.18 -14 1 3 0 46 200.241 1
Lo Low (pH 4.5-6) 1.60 5.36 -37.5 2 3 1 47 201.249 1

Activity (Go SEA)

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