UCSF

ZINC09723773

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 36 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) 5.94 9.33 -20.33 1 8 0 99 525.652 9
Mid Mid (pH 6-8) 5.94 8.68 -54.58 0 8 -1 101 524.644 9
Mid Mid (pH 6-8) 5.94 9.36 -68.09 0 8 -1 101 524.644 9

Activity (Go SEA)

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