UCSF

ZINC25446312

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 35 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) 3.42 7.26 -21.16 1 8 0 82 477.561 10
Lo Low (pH 4.5-6) 3.42 9.61 -66.12 2 8 1 83 478.569 10

Activity (Go SEA)

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