UCSF

ZINC04993093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 27 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) 3.33 5.31 -9.66 3 6 0 97 358.401 4
Lo Low (pH 4.5-6) 3.33 5.61 -58.08 4 6 1 99 359.409 4

Activity (Go SEA)

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