UCSF

ZINC10188130

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 36 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) 4.48 2.4 -13.27 0 5 0 55 477.539 7
Lo Low (pH 4.5-6) 4.48 2.42 -41.74 1 5 1 56 478.547 7

Activity (Go SEA)

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