UCSF

ZINC40511816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 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) -0.47 1.43 -14.65 0 6 0 77 280.353 4
Lo Low (pH 4.5-6) -0.47 3.65 -62.72 1 6 1 79 281.361 4

Activity (Go SEA)

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