UCSF

ZINC20204572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 1.58 4.81 -7.55 0 3 0 24 232.755 5
Mid Mid (pH 6-8) 1.58 7.13 -43.49 1 3 1 25 233.763 5

Activity (Go SEA)

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