UCSF

ZINC36360408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 2.43 6.5 -12.83 1 5 0 63 369.222 2
Ref Reference (pH 7) 2.24 9.16 -13.9 1 5 0 60 369.222 2
Lo Low (pH 4.5-6) 2.43 7.01 -37.79 2 5 1 65 370.23 2
Lo Low (pH 4.5-6) 2.43 6.96 -38.61 2 5 1 65 370.23 2
Lo Low (pH 4.5-6) 2.24 9.68 -38.5 2 5 1 61 370.23 2

Activity (Go SEA)

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