UCSF

ZINC35889444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 38 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) 6.29 16.74 -12.5 0 5 0 49 516.567 5
Mid Mid (pH 6-8) 6.29 17.06 -41.84 1 5 1 51 517.575 5

Activity (Go SEA)

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