UCSF

ZINC09312466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 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) 1.15 7.23 -59.91 0 8 -1 113 364.337 4
Lo Low (pH 4.5-6) 1.59 2.35 -46.32 2 8 1 110 366.353 3
Lo Low (pH 4.5-6) 0.56 1.88 -37.35 1 8 1 107 366.353 4
Lo Low (pH 4.5-6) 1.15 6.41 -16.37 1 8 0 110 365.345 4

Activity (Go SEA)

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