UCSF

ZINC16737090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 1.97 7.54 -60.29 0 10 -1 134 441.416 9
Mid Mid (pH 6-8) 2.41 6.49 -35.75 1 10 0 131 442.424 8
Mid Mid (pH 6-8) 1.38 7.47 -31.1 0 10 0 128 442.424 9

Activity (Go SEA)

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