UCSF

ZINC04148712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 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) 5.78 0.51 -11 0 7 0 101 424.497 5
Mid Mid (pH 6-8) 5.96 0.61 -11.53 0 7 0 101 424.497 5
Mid Mid (pH 6-8) 5.96 1.93 -14.34 0 7 0 101 424.497 5
Mid Mid (pH 6-8) 5.78 0.45 -14.53 0 7 0 101 424.497 5

Activity (Go SEA)

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