UCSF

ZINC31899214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.36 15.41 -55.07 1 6 1 66 432.61 7
Mid Mid (pH 6-8) 4.36 12.97 -16.39 0 6 0 64 431.602 7

Activity (Go SEA)

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