UCSF

ZINC02226436

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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) -0.19 -4 -15.56 3 9 0 113 280.288 5
Mid Mid (pH 6-8) -3.93 -3.55 -46.61 4 9 1 115 281.296 5

Activity (Go SEA)

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