UCSF

ZINC29228670

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -4.65 4.41 -43.93 0 6 1 44 295.407 2
Mid Mid (pH 6-8) -4.65 6.93 -117.99 1 6 2 45 296.415 2

Activity (Go SEA)

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