UCSF

ZINC53159312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.85 10.19 -16.79 1 2 0 21 292.766 2
Mid Mid (pH 6-8) 4.58 9.94 -51.55 0 2 -1 18 291.758 2

Activity (Go SEA)

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