UCSF

ZINC05445785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 2.98 4.97 -54.02 1 5 -1 78 387.209 4
Mid Mid (pH 6-8) 3.42 -2.43 -16.89 2 5 0 75 388.217 3

Activity (Go SEA)

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