UCSF

ZINC22049312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.93 7.51 -5.64 0 3 0 30 257.333 1
Lo Low (pH 4.5-6) 3.93 9.19 -36.05 1 3 1 31 258.341 1

Activity (Go SEA)

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