UCSF

ZINC15084789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 30 Yes

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) 2.87 10.19 -12.75 2 8 0 94 403.442 4
Lo Low (pH 4.5-6) 3.04 9.96 -42.03 3 8 1 99 404.45 4

Activity (Go SEA)

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