UCSF

ZINC34933605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 3.69 11.56 -76.83 1 7 0 77 465.594 11
Lo Low (pH 4.5-6) 3.69 10.81 -47.87 2 7 1 75 466.602 11

Activity (Go SEA)

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