UCSF

ZINC43253002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 4.00 7.06 -37.71 3 2 1 31 313.918 3
Mid Mid (pH 6-8) 4.00 7.73 -32.38 3 2 1 30 313.918 3
Mid Mid (pH 6-8) 4.00 8.31 -128.13 4 2 2 32 314.926 3

Activity (Go SEA)

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