UCSF

ZINC05835063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 36 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) 4.66 14.22 -84.13 0 8 -1 123 477.404 1
Mid Mid (pH 6-8) 4.66 13.62 -29.59 1 8 0 120 478.412 1

Activity (Go SEA)

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