UCSF

ZINC05922513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 21 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) 1.67 6.19 -37.02 3 4 1 54 291.415 4
Hi High (pH 8-9.5) 1.67 4.02 -10.93 2 4 0 53 290.407 4

Activity (Go SEA)

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