UCSF

ZINC13503654

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 4.27 9.61 -15.78 2 6 0 76 447.56 7
Lo Low (pH 4.5-6) 4.27 9.85 -38.96 3 6 1 77 448.568 7

Activity (Go SEA)

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