UCSF

ZINC35450497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 30 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) 0.68 9.19 -21.83 1 8 0 99 401.426 6
Lo Low (pH 4.5-6) 0.68 9.65 -44.47 2 8 1 100 402.434 6

Activity (Go SEA)

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