UCSF

ZINC05443003

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 28 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) 4.10 8.09 -27 2 6 0 86 385.452 2
Lo Low (pH 4.5-6) 4.10 8.49 -48.57 3 6 1 87 386.46 2

Activity (Go SEA)

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