UCSF

ZINC11010176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2007 26 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) 2.33 9.34 -33.31 1 6 1 60 355.462 4
Mid Mid (pH 6-8) 2.33 8.87 -10.67 0 6 0 59 354.454 4

Activity (Go SEA)

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