UCSF

ZINC35870286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 3.78 11.66 -15.65 1 8 0 94 477.952 5
Lo Low (pH 4.5-6) 3.78 12.11 -49.73 2 8 1 96 478.96 5

Activity (Go SEA)

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