UCSF

ZINC35025866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 5.49 13.53 -69.62 1 7 0 83 506.643 14
Lo Low (pH 4.5-6) 5.49 12.78 -49.02 2 7 1 81 507.651 14

Activity (Go SEA)

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