UCSF

ZINC36734332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 2.57 3.83 -8.36 2 5 0 59 324.178 3
Lo Low (pH 4.5-6) 2.57 3.98 -34.45 3 5 1 60 325.186 3

Activity (Go SEA)

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