UCSF

ZINC41728947

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 0.31 5.33 -42.28 3 2 1 33 233.257 2
Hi High (pH 8-9.5) 0.31 5.03 -5.48 2 2 0 31 232.249 2

Activity (Go SEA)

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