UCSF

ZINC38021259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) 0.31 6.23 -44.51 0 4 -1 56 199.255 5
Lo Low (pH 4.5-6) 0.31 6.69 -35.35 1 4 0 58 200.263 5

Activity (Go SEA)

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