UCSF

ZINC36771285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 12 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) 0.29 2.65 -10.54 0 3 0 40 161.208 3
Lo Low (pH 4.5-6) 0.29 5.01 -53.9 1 3 1 41 162.216 3

Activity (Go SEA)

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