UCSF

ZINC34931602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.27 10.81 -60.77 0 7 -1 88 480.581 14
Lo Low (pH 4.5-6) 5.27 10.05 -13.9 1 7 0 85 481.589 14

Activity (Go SEA)

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