UCSF

ZINC18194478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 33 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) 3.02 8 -12.81 2 7 0 82 450.583 9
Lo Low (pH 4.5-6) 3.02 10.21 -54.37 3 7 1 83 451.591 9
Lo Low (pH 4.5-6) 3.20 8.67 -53.92 3 7 1 86 451.591 9

Activity (Go SEA)

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