UCSF

ZINC35487538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 3.82 7.49 -14.17 1 7 0 89 488.334 6
Hi High (pH 8-9.5) 3.82 8.41 -53.47 0 7 -1 92 487.326 6

Activity (Go SEA)

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