UCSF

ZINC04316792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 24 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) 2.32 6.8 -16.35 2 5 0 75 343.452 4
Hi High (pH 8-9.5) 2.78 4.93 -54.37 1 5 -1 78 342.444 4

Activity (Go SEA)

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