UCSF

ZINC16778369

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 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) 5.51 9.82 -50.95 1 10 -1 141 478.51 8
Lo Low (pH 4.5-6) 5.51 10.02 -18.55 2 10 0 139 479.518 8

Activity (Go SEA)

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