UCSF

ZINC35046272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.03 7.3 -39.32 2 5 1 56 295.403 7
Mid Mid (pH 6-8) 2.03 6.26 -46.23 2 5 1 59 295.403 7
Lo Low (pH 4.5-6) 2.03 8.49 -115.27 3 5 2 60 296.411 7

Activity (Go SEA)

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