UCSF

ZINC13283693

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 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) 5.69 11.88 -12.08 0 4 0 41 371.436 5
Lo Low (pH 4.5-6) 5.69 11.84 -26.17 1 4 1 42 372.444 5

Activity (Go SEA)

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