UCSF

ZINC04267057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 25 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) 4.78 11.9 -8.92 1 3 0 38 343.352 5
Lo Low (pH 4.5-6) 4.78 12.24 -36.5 2 3 1 39 344.36 5

Activity (Go SEA)

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