UCSF

ZINC28473809

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 25 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) 2.67 5.79 -48.3 2 6 1 59 364.853 6
Mid Mid (pH 6-8) 2.67 3.42 -11.53 1 6 0 58 363.845 6

Activity (Go SEA)

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