UCSF

ZINC69709131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 1.13 5.77 -12.29 1 5 0 58 273.336 3
Lo Low (pH 4.5-6) 1.13 6.26 -44.82 2 5 1 59 274.344 3

Activity (Go SEA)

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