UCSF

ZINC20267690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 3.92 10.14 -43.76 2 8 1 77 485.678 8
Hi High (pH 8-9.5) 3.92 7.84 -8.1 1 8 0 76 484.67 8
Mid Mid (pH 6-8) -0.24 0.61 -17.72 1 7 0 89 339.417 4

Activity (Go SEA)

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