UCSF

ZINC04172498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 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) 7.40 13.75 -14.28 1 5 0 48 457.618 9
Mid Mid (pH 6-8) 7.40 14.19 -27.42 2 5 1 49 458.626 9

Activity (Go SEA)

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