UCSF

ZINC35475768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 4.27 12.03 -11.56 0 5 0 42 431.511 5
Mid Mid (pH 6-8) 4.27 14.26 -48.48 1 5 1 43 432.519 5

Activity (Go SEA)

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