UCSF

ZINC31350920

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 37 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) -0.63 -2.01 -178.46 10 10 3 155 532.743 18
Hi High (pH 8-9.5) -0.63 -4.05 -88.39 9 10 2 154 531.735 18
Mid Mid (pH 6-8) -0.63 -1.2 -87.44 9 10 2 158 531.735 18

Activity (Go SEA)

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