UCSF

ZINC65323368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 27 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) 5.26 10.11 -8.72 1 6 0 61 423.27 3
Lo Low (pH 4.5-6) 5.26 10.45 -32.69 2 6 1 62 424.278 3

Activity (Go SEA)

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