UCSF

ZINC40142161

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 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) 4.77 12.08 -22.17 1 6 0 74 430.504 10
Mid Mid (pH 6-8) 4.77 12.29 -43.93 2 6 1 75 431.512 10

Activity (Go SEA)

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