UCSF

ZINC20029370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 No

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) 2.99 9.92 -73.15 1 8 0 93 488.968 10
Lo Low (pH 4.5-6) 2.99 9.09 -52.98 2 8 1 90 489.976 10

Activity (Go SEA)

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