UCSF

ZINC06493982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 24 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) 1.75 5.15 -65.71 1 5 -1 81 322.34 5
Lo Low (pH 4.5-6) 1.75 4.4 -15.67 2 5 0 78 323.348 5

Activity (Go SEA)

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