UCSF

ZINC41678475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 4.12 9.41 -38.93 2 3 1 29 298.863 6
Hi High (pH 8-9.5) 4.12 7.02 -4.97 1 3 0 28 297.855 6

Activity (Go SEA)

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