UCSF

ZINC51250660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 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) 2.34 5.18 -96.73 4 2 2 32 202.386 5
Hi High (pH 8-9.5) 2.34 4.85 -28.25 3 2 1 30 201.378 5

Activity (Go SEA)

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