UCSF

ZINC04427422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 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) 4.61 10.71 -53.58 0 4 -1 60 386.83 6
Lo Low (pH 4.5-6) 4.61 9.9 -11.08 1 4 0 58 387.838 6

Activity (Go SEA)

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