UCSF

ZINC20077615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 11 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) 1.22 2.66 -37.41 0 4 -1 53 165.201 2
Lo Low (pH 4.5-6) 1.22 2.78 -11.95 1 4 0 54 166.209 2

Activity (Go SEA)

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