UCSF

ZINC51217325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 13 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) 1.76 5.24 -96.67 4 2 2 32 188.359 5
Hi High (pH 8-9.5) 1.76 4.91 -29.42 3 2 1 30 187.351 5

Activity (Go SEA)

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