UCSF

ZINC34868521

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 3.55 11.88 -18.48 2 7 0 89 453.546 9
Lo Low (pH 4.5-6) 3.55 12.23 -46.29 3 7 1 90 454.554 9

Activity (Go SEA)

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