UCSF

ZINC37132599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 29 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) 2.95 9.92 -48.26 2 7 1 70 401.531 11
Mid Mid (pH 6-8) 2.95 8.8 -12.51 1 7 0 69 400.523 11

Activity (Go SEA)

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