UCSF

ZINC38733556

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 36 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) 4.79 11.33 -11.86 0 7 0 72 490.6 9
Mid Mid (pH 6-8) 4.79 13.59 -45.66 1 7 1 73 491.608 9

Activity (Go SEA)

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