UCSF

ZINC12544069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 26 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) 1.59 8.06 -16.33 1 6 0 77 368.462 5
Lo Low (pH 4.5-6) 1.59 8.33 -46.95 2 6 1 78 369.47 5

Activity (Go SEA)

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