UCSF

ZINC20309074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 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) 4.60 11.45 -74.81 2 6 0 85 501.421 9
Mid Mid (pH 6-8) 4.60 12.48 -126.53 1 6 -1 88 500.413 9

Activity (Go SEA)

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