UCSF

ZINC22163235

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 0.24 1.77 -47.31 3 3 1 44 194.302 5
Hi High (pH 8-9.5) 0.24 3.93 -30.16 3 3 1 43 194.302 5
Mid Mid (pH 6-8) 0.24 3.85 -126.32 4 3 2 45 195.31 5

Activity (Go SEA)

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