UCSF

ZINC37111237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.60 3.34 -46.7 3 4 1 49 225.36 6
Lo Low (pH 4.5-6) 0.60 4.32 -122.13 4 4 2 50 226.368 6

Activity (Go SEA)

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