UCSF

ZINC36624019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) -0.33 5.73 -52.78 0 6 -1 78 252.294 5
Lo Low (pH 4.5-6) -0.33 3.76 -13.31 1 6 0 75 253.302 5

Activity (Go SEA)

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