UCSF

ZINC52304122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 28 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) -0.16 3.49 -63.31 3 10 1 112 393.468 9
Mid Mid (pH 6-8) -0.16 1.3 -25.74 2 10 0 111 392.46 9

Activity (Go SEA)

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