UCSF

ZINC39914120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 4.71 7.8 -11.99 2 6 0 78 446.334 6
Mid Mid (pH 6-8) 4.71 8.58 -48.32 1 6 -1 81 445.326 6

Activity (Go SEA)

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