UCSF

ZINC22126668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.40 6.24 -11.34 2 7 0 106 251.253 1
Lo Low (pH 4.5-6) 0.40 6.67 -45.46 3 7 1 107 252.261 1

Activity (Go SEA)

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