UCSF

ZINC04185110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 26 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) 2.16 -1.4 -13.14 1 6 0 65 352.369 3
Lo Low (pH 4.5-6) 2.16 -1.34 -50.89 2 6 1 66 353.377 3

Activity (Go SEA)

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