UCSF

ZINC39759768

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 4.32 8.5 -10.86 2 6 0 80 388.88 7
Mid Mid (pH 6-8) 4.32 8.31 -42.9 1 6 -1 78 387.872 7

Activity (Go SEA)

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