UCSF

ZINC08199018

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 22 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) 2.03 7.63 -46 2 5 1 64 301.366 6
Hi High (pH 8-9.5) 2.22 3.77 -47.01 0 5 -1 69 299.35 6

Activity (Go SEA)

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