UCSF

ZINC00593932

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.76 -0.9 -16.73 2 8 0 101 484.841 9
Lo Low (pH 4.5-6) 1.76 -0.73 -83.2 4 8 2 104 486.857 9
Lo Low (pH 4.5-6) 1.76 -0.81 -43.8 3 8 1 103 485.849 9
Lo Low (pH 4.5-6) 1.76 -0.81 -46.29 3 8 1 103 485.849 9

Activity (Go SEA)

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