UCSF

ZINC40181993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.65 17.9 -18.65 0 6 0 57 523.677 12
Mid Mid (pH 6-8) 5.65 18.39 -45.86 1 6 1 58 524.685 12

Activity (Go SEA)

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