UCSF

ZINC46750495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2010 28 Yes

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) 2.99 4.01 -15.84 1 7 0 71 386.496 6
Mid Mid (pH 6-8) 2.99 6.28 -50.29 2 7 1 72 387.504 6

Activity (Go SEA)

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