UCSF

ZINC34466886

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) 3.05 5.83 -6.71 2 4 0 45 314.458 2
Mid Mid (pH 6-8) 3.05 8.14 -45.74 3 4 1 47 315.466 2
Mid Mid (pH 6-8) 3.05 6.26 -29.45 3 4 1 47 315.466 2
Lo Low (pH 4.5-6) 3.05 8.56 -93.73 4 4 2 48 316.474 2

Activity (Go SEA)

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