UCSF

ZINC39641202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 34 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) 6.69 18.8 -64.69 1 4 0 54 461.646 11
Lo Low (pH 4.5-6) 6.69 16.82 -38.32 2 4 1 51 462.654 11

Activity (Go SEA)

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