UCSF

ZINC23882956

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 33 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) 3.78 12.14 -48.02 2 6 1 53 442.587 6
Mid Mid (pH 6-8) 3.78 9.82 -14.51 1 6 0 52 441.579 6
Lo Low (pH 4.5-6) 3.78 14.54 -81.97 3 6 2 54 443.595 6

Activity (Go SEA)

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