UCSF

ZINC56494627

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2011 18 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) 3.21 5.21 -3.1 0 3 0 22 255.402 6
Mid Mid (pH 6-8) 3.21 7.51 -30.86 1 3 1 23 256.41 6

Activity (Go SEA)

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