UCSF

ZINC29042326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 26 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) 0.49 0.51 -62.7 3 6 -1 118 365.446 2
Lo Low (pH 4.5-6) 0.49 -0.61 -17.55 4 6 0 115 366.454 2

Activity (Go SEA)

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