UCSF

ZINC21658146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.96 7.05 -7.22 2 2 0 28 284.309 1
Lo Low (pH 4.5-6) 3.96 8.41 -56.14 3 2 1 32 285.317 1

Activity (Go SEA)

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