UCSF

ZINC35450200

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.07 11.4 -21.93 1 8 0 89 443.507 7
Lo Low (pH 4.5-6) 2.07 12.15 -35.51 2 8 0 90 444.515 7

Activity (Go SEA)

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