UCSF

ZINC37266975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 0.40 5.71 -37.63 2 4 1 34 249.382 2
Lo Low (pH 4.5-6) 0.40 6.66 -106.42 3 4 2 39 250.39 2
Lo Low (pH 4.5-6) 0.40 4.27 -39.16 2 4 1 38 249.382 2

Activity (Go SEA)

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