UCSF

ZINC36638593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 No

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) 4.25 4.71 -18.85 1 8 0 105 479.624 8
Lo Low (pH 4.5-6) 4.25 5.89 -48.39 2 8 1 107 480.632 8

Activity (Go SEA)

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