UCSF

ZINC19400039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 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) 2.72 6.33 -121.09 4 2 2 32 202.386 7
Hi High (pH 8-9.5) 2.72 5.97 -28.9 3 2 1 30 201.378 7
Hi High (pH 8-9.5) 2.72 4.39 -37.8 3 2 1 31 201.378 7

Activity (Go SEA)

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