UCSF

ZINC28575200

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 31 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) 3.69 9.27 -13.59 1 6 0 59 424.589 7
Mid Mid (pH 6-8) 3.69 11.48 -49.81 2 6 1 61 425.597 7

Activity (Go SEA)

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