UCSF

ZINC35222559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 1.90 7.48 -39.41 1 4 1 30 315.235 2
Mid Mid (pH 6-8) 1.90 5.32 -6.54 0 4 0 28 314.227 2

Activity (Go SEA)

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