UCSF

ZINC20293666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 0.87 2.81 -47.19 3 5 1 66 264.33 1
Mid Mid (pH 6-8) 0.87 1.52 -12.5 2 5 0 61 263.322 1

Activity (Go SEA)

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