UCSF

ZINC35304269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 11 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) -1.60 5.44 -43.91 1 4 0 68 156.185 5
Hi High (pH 8-9.5) -1.60 3.18 -47.99 0 4 -1 67 155.177 5

Activity (Go SEA)

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