UCSF

ZINC37066777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.39 4.05 -38.78 4 5 1 65 267.397 9
Hi High (pH 8-9.5) 2.39 1.94 -4.54 3 5 0 63 266.389 9

Activity (Go SEA)

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