UCSF

ZINC06159205

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 33 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) 6.69 13.61 -12.66 1 5 0 68 497.041 8
Lo Low (pH 4.5-6) 6.69 13.85 -37.87 2 5 1 70 498.049 8

Activity (Go SEA)

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