UCSF

ZINC12496332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) -0.24 -1.91 -13.66 4 9 0 129 281.272 3
Lo Low (pH 4.5-6) -0.24 -1.66 -40.81 5 9 1 130 282.28 3
Lo Low (pH 4.5-6) -0.24 -6.07 -32.91 5 9 1 130 282.28 3

Activity (Go SEA)

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