UCSF

ZINC07765691

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2006 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) 1.25 6.08 -15.9 1 5 0 60 286.331 7
Lo Low (pH 4.5-6) 1.25 6.55 -48.16 2 5 1 62 287.339 7

Activity (Go SEA)

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