UCSF

ZINC39914377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.88 10.48 -13.08 2 7 0 88 496.007 10
Mid Mid (pH 6-8) 5.88 11.25 -49.64 1 7 -1 91 494.999 10

Activity (Go SEA)

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