UCSF

ZINC42796251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.22 9.74 -36.38 1 6 1 66 301.798 7
Hi High (pH 8-9.5) 3.22 7.28 -5.29 0 6 0 65 300.79 7

Activity (Go SEA)

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