UCSF

ZINC36638772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 3.61 3.41 -19.1 1 8 0 105 453.586 6
Lo Low (pH 4.5-6) 3.61 4.48 -49.77 2 8 1 107 454.594 6

Activity (Go SEA)

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