UCSF

ZINC31960451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 0.32 -1.61 -53.87 6 6 1 102 239.299 6
Mid Mid (pH 6-8) 0.32 -2 -17.99 5 6 0 100 238.291 6

Activity (Go SEA)

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