UCSF

ZINC37052080

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) 1.27 6.99 -8.89 2 3 0 46 331.213 2
Mid Mid (pH 6-8) 1.27 7.3 -45.47 3 3 1 48 332.221 2

Activity (Go SEA)

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