UCSF

ZINC15082047

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 20 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) 2.51 4.28 -15.12 3 5 0 77 354.229 2
Lo Low (pH 4.5-6) 2.51 4.51 -42.17 4 5 1 78 355.237 2

Activity (Go SEA)

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