UCSF

ZINC35332452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 1.28 2.16 -31.13 4 4 1 61 218.28 4
Hi High (pH 8-9.5) 1.28 1.7 -6.98 3 4 0 60 217.272 4

Activity (Go SEA)

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