UCSF

ZINC39472940

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 19 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) 1.75 6.23 -13.01 3 5 0 71 253.309 2
Lo Low (pH 4.5-6) 1.75 6.03 -24.45 4 5 1 72 254.317 2

Activity (Go SEA)

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