UCSF

ZINC30994349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 24 Yes

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) 3.40 3.42 -19.83 4 6 0 90 347.802 4
Hi High (pH 8-9.5) 3.40 4.19 -50.41 3 6 -1 93 346.794 4

Activity (Go SEA)

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