UCSF

ZINC35483938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 5.66 16 -64.69 0 7 -1 91 507.595 4
Lo Low (pH 4.5-6) 5.66 15.25 -17.67 1 7 0 88 508.603 4

Activity (Go SEA)

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