UCSF

ZINC34933114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 3.57 9.66 -54.66 0 6 -1 83 447.898 7
Lo Low (pH 4.5-6) 3.57 8.9 -13.16 1 6 0 80 448.906 7

Activity (Go SEA)

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