UCSF

ZINC22146082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 0.34 0.43 -48.17 4 4 1 60 214.333 4
Mid Mid (pH 6-8) 0.34 2.64 -107.44 5 4 2 61 215.341 4
Mid Mid (pH 6-8) 0.34 2.33 -38.84 4 4 1 60 214.333 4

Activity (Go SEA)

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