UCSF

ZINC05165310

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 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) 2.74 9.11 -17.9 3 6 0 97 363.446 6
Mid Mid (pH 6-8) 2.74 9.53 -44.04 4 6 1 98 364.454 6

Activity (Go SEA)

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