UCSF

ZINC21819317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.19 10.88 -3.23 1 1 0 12 322.279 6
Lo Low (pH 4.5-6) 5.19 12.07 -42.42 2 1 1 17 323.287 6

Activity (Go SEA)

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