UCSF

ZINC54338348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.76 10.93 -37.84 1 4 1 34 359.515 8
Mid Mid (pH 6-8) 2.76 8.84 -10.75 0 4 0 33 358.507 8

Activity (Go SEA)

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