UCSF

ZINC41906550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 23 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 4.68 -48.05 2 6 1 57 341.501 5
Hi High (pH 8-9.5) 0.16 2.3 -15.99 1 6 0 56 340.493 5

Activity (Go SEA)

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