UCSF

ZINC04535638

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 24 No

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) -0.36 -3.64 -55.76 4 7 1 103 335.38 8
Mid Mid (pH 6-8) -0.36 -4.04 -61.51 4 7 1 103 335.38 7
Mid Mid (pH 6-8) -0.95 -3.86 -70.71 3 7 1 100 335.38 8

Activity (Go SEA)

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