UCSF

ZINC37323475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) -0.19 2.85 -10.91 0 5 0 50 254.33 2
Lo Low (pH 4.5-6) -0.19 4.98 -43.78 1 5 1 51 255.338 2

Activity (Go SEA)

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