UCSF

ZINC36891706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 1.28 2.94 -11.06 2 5 0 67 313.151 5
Mid Mid (pH 6-8) 1.28 4.17 -50.96 3 5 1 72 314.159 5

Activity (Go SEA)

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