UCSF

ZINC35430360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 2.15 6.42 -15.75 1 7 0 82 385.445 5
Lo Low (pH 4.5-6) 2.15 6.91 -41.32 2 7 1 83 386.453 5

Activity (Go SEA)

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