UCSF

ZINC66166612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 20 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) 4.67 7.78 -6.05 1 3 0 30 277.408 9
Lo Low (pH 4.5-6) 4.67 8.36 -40.71 2 3 1 35 278.416 9

Activity (Go SEA)

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