UCSF

ZINC02181582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 26 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) 2.31 6.28 -50.91 0 6 -1 80 344.35 2
Lo Low (pH 4.5-6) 1.85 8.69 -12.04 1 6 0 77 345.358 2

Activity (Go SEA)

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