UCSF

ZINC41304628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 1.10 5.48 -23.37 1 8 0 99 365.44 5
Mid Mid (pH 6-8) 1.17 3.77 -59.75 0 8 -1 105 364.432 5

Activity (Go SEA)

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