UCSF

ZINC19574711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 28 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) 1.53 9.27 -21.75 0 6 0 60 376.46 4
Lo Low (pH 4.5-6) 1.53 9.71 -53.11 1 6 1 62 377.468 4

Activity (Go SEA)

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