UCSF

ZINC23324124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.11 2.92 -12.89 3 8 0 100 389.452 7
Mid Mid (pH 6-8) 1.11 4.87 -43.34 4 8 1 101 390.46 7

Activity (Go SEA)

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