UCSF

ZINC23071126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 0.59 5.49 -37.69 3 4 1 49 263.361 3
Mid Mid (pH 6-8) 0.59 5.77 -139.51 4 4 2 51 264.369 3

Activity (Go SEA)

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