UCSF

ZINC27997179

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 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) 5.81 10.25 -54.59 2 4 -1 81 471.702 1
Lo Low (pH 4.5-6) 5.81 8.32 -8.01 3 4 0 78 472.71 1

Activity (Go SEA)

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