UCSF

ZINC22125410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 3.41 8.06 -42.42 2 3 1 29 315.412 4
Hi High (pH 8-9.5) 3.41 6.65 -4.66 1 3 0 24 314.404 4

Activity (Go SEA)

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