UCSF

ZINC11253370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2007 19 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) 2.64 7.59 -53.58 2 4 1 46 296.803 5
Mid Mid (pH 6-8) 2.64 5.34 -15.23 1 4 0 45 295.795 5

Activity (Go SEA)

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