UCSF

ZINC52274707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 2.42 4.81 -37.52 2 2 1 20 237.289 4
Lo Low (pH 4.5-6) 2.42 6.92 -105.34 3 2 2 21 238.297 4

Activity (Go SEA)

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