UCSF

ZINC42778208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.37 7.36 -40.2 1 3 1 21 290.884 8
Hi High (pH 8-9.5) 2.37 4.91 -4.09 0 3 0 19 289.876 8

Activity (Go SEA)

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