UCSF

ZINC21819783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.25 7.49 -15.16 2 3 0 49 269.344 3
Hi High (pH 8-9.5) 5.25 8.52 -60.4 1 3 -1 52 268.336 3

Activity (Go SEA)

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