UCSF

ZINC22585663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 1.42 3.96 -37.65 2 5 1 46 278.376 4
Hi High (pH 8-9.5) 1.42 1.71 -9.47 1 5 0 45 277.368 4
Mid Mid (pH 6-8) 1.42 4.07 -39.62 2 5 1 46 278.376 4

Activity (Go SEA)

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