UCSF

ZINC39259881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 1.36 6.9 -43.11 1 3 -1 52 204.249 5
Lo Low (pH 4.5-6) 1.36 7.02 -27.05 2 3 0 57 205.257 5

Activity (Go SEA)

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