UCSF

ZINC38003374

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.07 5.87 -45.46 2 3 1 37 306.249 5
Hi High (pH 8-9.5) 2.07 4.67 -7.53 1 3 0 32 305.241 5

Activity (Go SEA)

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