UCSF

ZINC37052226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -1.58 3.8 -14.69 2 5 0 67 259.309 2
Mid Mid (pH 6-8) -1.58 4.1 -49.81 3 5 1 68 260.317 2

Activity (Go SEA)

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