UCSF

ZINC37829243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 3.03 10.24 -60.89 0 4 -1 60 282.404 9
Lo Low (pH 4.5-6) 3.03 7.8 -5.43 1 4 0 58 283.412 9

Activity (Go SEA)

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