UCSF

ZINC41584091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.88 9.24 -40.94 2 4 1 51 365.375 6
Mid Mid (pH 6-8) 4.88 9.8 -21.67 1 4 0 54 364.367 6

Activity (Go SEA)

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