UCSF

ZINC34858017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 2.38 10.8 -37.92 2 8 1 89 420.493 7
Mid Mid (pH 6-8) 2.38 10.47 -10.91 1 8 0 88 419.485 7
Lo Low (pH 4.5-6) 2.38 11.27 -85.45 3 8 2 90 421.501 7

Activity (Go SEA)

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