UCSF

ZINC34954941

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) 6.05 14.29 -56.23 0 5 -1 73 471.533 4
Lo Low (pH 4.5-6) 6.05 13.4 -12.33 1 5 0 71 472.541 4

Activity (Go SEA)

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