UCSF

ZINC20131311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 31 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) 5.74 9.26 -9.66 2 4 0 62 419.475 4
Lo Low (pH 4.5-6) 5.74 9.71 -57.95 3 4 1 64 420.483 4

Activity (Go SEA)

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