UCSF

ZINC34874539

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) 5.93 13.96 -12.62 1 4 0 55 443.55 6
Lo Low (pH 4.5-6) 5.93 14.55 -33.71 2 4 1 56 444.558 6

Activity (Go SEA)

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