UCSF

ZINC37052505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.45 5.03 -13.95 2 5 0 67 340.221 4
Mid Mid (pH 6-8) -0.45 5.33 -49.25 3 5 1 68 341.229 4

Activity (Go SEA)

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