UCSF

ZINC52248861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 12 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) 1.55 4.25 -45.08 1 3 -1 60 173.232 5
Lo Low (pH 4.5-6) 1.55 2.27 -7.53 2 3 0 58 174.24 5

Activity (Go SEA)

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