UCSF

ZINC36273147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.03 10.73 -36.21 3 4 1 48 323.464 5
Mid Mid (pH 6-8) 4.03 7.44 -23.75 3 4 1 48 323.464 5
Mid Mid (pH 6-8) 4.03 10.58 -81.57 4 4 2 49 324.472 5
Mid Mid (pH 6-8) 4.03 8.61 -9.27 2 4 0 47 322.456 5

Activity (Go SEA)

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