UCSF

ZINC08838082

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 5.78 2.86 -9.53 0 4 0 38 451.651 9

Activity (Go SEA)

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