UCSF

ZINC03514366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 4.32 11.26 -12.57 1 5 0 77 350.37 4
Hi High (pH 8-9.5) 4.32 12.27 -50.09 0 5 -1 80 349.362 4

Activity (Go SEA)

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