UCSF

ZINC35812495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.13 0.8 -18.78 3 5 0 76 164.168 0
Mid Mid (pH 6-8) 0.33 -0.58 -44.86 2 5 -1 79 163.16 0

Activity (Go SEA)

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