UCSF

ZINC37828191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.61 7.81 -49.31 0 5 -1 73 259.285 5
Lo Low (pH 4.5-6) 0.61 5.82 -9.4 1 5 0 71 260.293 5
Lo Low (pH 4.5-6) 0.61 7.48 -57.47 1 5 0 75 260.293 5

Activity (Go SEA)

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