UCSF

ZINC21788908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 4.00 11.56 -18.45 0 7 0 79 442.397 8
Lo Low (pH 4.5-6) 4.00 11.94 -42.82 1 7 1 80 443.405 8

Activity (Go SEA)

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