UCSF

ZINC04623557

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 21 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) -0.07 3.96 -61.18 2 7 -1 115 286.267 5
Lo Low (pH 4.5-6) -0.07 4.24 -89.78 3 7 0 116 287.275 5

Activity (Go SEA)

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