UCSF

ZINC34426117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 35 No

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) 6.17 15.79 -17.64 1 7 0 97 467.525 8
Lo Low (pH 4.5-6) 6.17 16.27 -46.05 2 7 1 98 468.533 8

Activity (Go SEA)

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