UCSF

ZINC10254307

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 28 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) 4.15 1.25 -17.57 0 5 0 69 404.882 4
Lo Low (pH 4.5-6) 4.15 1.36 -56.58 1 5 1 71 405.89 4

Activity (Go SEA)

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