UCSF

ZINC28842672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 21 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) 2.32 4.69 -8.4 1 4 0 42 310.825 5
Mid Mid (pH 6-8) 2.32 6.88 -43.12 2 4 1 43 311.833 5

Activity (Go SEA)

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