UCSF

ZINC35707324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 38 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) 4.51 11.5 -12.19 2 7 0 74 514.67 11
Mid Mid (pH 6-8) 4.51 13.73 -37.77 3 7 1 75 515.678 11

Activity (Go SEA)

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