UCSF

ZINC06442087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 32 No

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) -2.45 8.79 -29.64 3 9 1 116 433.492 7
Lo Low (pH 4.5-6) -2.45 9.26 -75.02 4 9 2 117 434.5 7

Activity (Go SEA)

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