UCSF

ZINC28048489

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 22 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) 2.82 5.94 -11.29 1 6 0 87 315.716 2
Lo Low (pH 4.5-6) 2.82 6.76 -45.2 2 6 1 89 316.724 2

Activity (Go SEA)

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