UCSF

ZINC03927810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 38 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) 7.06 15.22 -18.07 2 5 0 71 512.638 6
Lo Low (pH 4.5-6) 7.06 15.46 -41.68 3 5 1 72 513.646 6

Activity (Go SEA)

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