UCSF

ZINC06503577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 28 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) 3.52 10.57 -30.85 2 6 1 74 377.468 6
Mid Mid (pH 6-8) 3.53 11 -31.64 3 6 1 77 377.468 6
Mid Mid (pH 6-8) 3.52 10.09 -15.91 1 6 0 73 376.46 6
Lo Low (pH 4.5-6) 3.53 10.42 -37.38 2 6 1 74 377.468 6

Activity (Go SEA)

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