UCSF

ZINC37818034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.45 5.22 -37.92 2 5 1 57 256.37 5
Hi High (pH 8-9.5) 0.45 4.04 -13.91 1 5 0 53 255.362 5

Activity (Go SEA)

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