UCSF

ZINC19609113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 1.86 5.92 -33.73 1 2 1 8 227.278 2
Mid Mid (pH 6-8) 1.86 5.79 -28.9 1 2 1 8 227.278 2
Mid Mid (pH 6-8) 1.86 3.44 -4.08 0 2 0 6 226.27 2

Activity (Go SEA)

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