UCSF

ZINC37081971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.27 6.73 -44.71 3 2 1 31 275.46 5
Mid Mid (pH 6-8) 3.27 8.27 -28.67 3 2 1 30 275.46 5
Mid Mid (pH 6-8) 3.27 8.51 -121.92 4 2 2 32 276.468 5

Activity (Go SEA)

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