UCSF

ZINC41655662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.98 6.66 -50.72 0 4 -1 56 289.742 2
Mid Mid (pH 6-8) 2.98 8.95 -50.39 1 4 0 57 290.75 2

Activity (Go SEA)

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