UCSF

ZINC06553825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 27 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) 3.15 8.62 -12.46 1 5 0 71 379.437 5
Mid Mid (pH 6-8) 2.57 9.32 -18.64 0 5 0 68 379.437 5

Activity (Go SEA)

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