UCSF

ZINC45824480

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 28 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) 1.14 6.18 -14.69 1 7 0 73 386.496 5
Mid Mid (pH 6-8) 1.14 8.33 -50.69 2 7 1 74 387.504 5

Activity (Go SEA)

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