UCSF

ZINC53709920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 22 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) 1.86 6.71 -49.37 2 6 1 65 322.41 8
Mid Mid (pH 6-8) 1.86 4.45 -20.71 1 6 0 64 321.402 8

Activity (Go SEA)

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