UCSF

ZINC01711127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 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) -0.53 0.15 -6.73 4 4 0 78 124.147 0
Lo Low (pH 4.5-6) -0.53 0.42 -28.21 5 4 1 79 125.155 0
Lo Low (pH 4.5-6) -0.53 -3.67 -27.8 5 4 1 79 125.155 0

Activity (Go SEA)

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