UCSF

ZINC39127724

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 21 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) 5.53 7.59 -7.05 2 3 0 45 304.459 3
Lo Low (pH 4.5-6) 5.53 7.98 -26.37 3 3 1 46 305.467 3

Activity (Go SEA)

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