UCSF

ZINC16533554

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 35 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) 4.56 11.81 -13.54 1 8 0 80 473.577 4
Mid Mid (pH 6-8) 4.56 12.13 -39.21 2 8 1 81 474.585 4

Activity (Go SEA)

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