UCSF

ZINC35734944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) -0.49 4.19 -39.62 4 4 1 66 263.361 5
Hi High (pH 8-9.5) -0.49 3.87 -6.23 3 4 0 64 262.353 5

Activity (Go SEA)

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