UCSF

ZINC28870772

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 32 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) 5.46 8.62 -43.94 1 6 -1 90 505.79 5
Lo Low (pH 4.5-6) 5.46 8.59 -13.7 2 6 0 88 506.798 5

Activity (Go SEA)

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