UCSF

ZINC43675490

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 1.19 1.26 -13.64 2 7 0 88 291.307 5
Hi High (pH 8-9.5) 1.38 -1.4 -47.44 1 7 -1 94 290.299 5

Activity (Go SEA)

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