UCSF

ZINC05138452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 No

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) 0.01 -0.32 -6.9 1 4 0 55 191.252 5
Hi High (pH 8-9.5) 0.01 -1.27 -47.79 1 4 -1 55 190.244 5

Activity (Go SEA)

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