UCSF

ZINC35281706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 4.17 11.46 -73.68 1 7 0 83 472.541 9
Lo Low (pH 4.5-6) 4.17 10.7 -51.99 2 7 1 81 473.549 9

Activity (Go SEA)

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