UCSF

ZINC36221927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 No

Other Names:

DNC013082

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) -0.91 6.25 -92.7 1 8 0 106 409.46 4
Hi High (pH 8-9.5) -0.91 3.99 -57.75 0 8 -1 105 408.452 4

Activity (Go SEA)

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