UCSF

ZINC39228001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 4.67 10.39 -43.19 3 8 1 86 500.575 6
Mid Mid (pH 6-8) 4.67 8.84 -18 2 8 0 85 499.567 6

Activity (Go SEA)

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