UCSF

ZINC34850079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.96 14.05 -84.76 3 6 2 50 482.761 10
Hi High (pH 8-9.5) 4.96 12.62 -43.7 2 6 1 49 481.753 10
Mid Mid (pH 6-8) 4.96 14.56 -152.79 4 6 3 51 483.769 10

Activity (Go SEA)

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