UCSF

ZINC04888934

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 24 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) 2.80 -1.83 -14.6 2 5 0 77 388.217 3
Mid Mid (pH 6-8) 2.22 -2.02 -24.86 1 5 0 74 388.217 3

Activity (Go SEA)

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