UCSF

ZINC37052321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.97 6.76 -6.82 2 3 0 46 308.715 2
Mid Mid (pH 6-8) 0.97 7.06 -55.82 3 3 1 48 309.723 2

Activity (Go SEA)

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