UCSF

ZINC20078454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.48 8.21 -38.17 2 2 1 16 283.798 3
Lo Low (pH 4.5-6) 3.48 9.23 -121.82 3 2 2 21 284.806 3

Activity (Go SEA)

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