UCSF

ZINC19999110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 30 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) 4.16 12.69 -72.4 1 5 0 65 426.582 9
Lo Low (pH 4.5-6) 4.16 11.72 -43.99 2 5 1 62 427.59 9

Activity (Go SEA)

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