UCSF

ZINC25135896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) 3.02 7.07 -16.96 1 5 0 53 359.514 6
Mid Mid (pH 6-8) 3.02 9.21 -53.25 2 5 1 54 360.522 6

Activity (Go SEA)

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