UCSF

ZINC34457954

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.78 5.2 -15.06 1 4 0 55 236.658 2
Mid Mid (pH 6-8) 2.24 3.28 -7.38 1 4 0 55 236.658 2

Activity (Go SEA)

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