UCSF

ZINC04062561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 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) 5.02 -0.71 -8.35 0 6 0 74 462.34 6
Mid Mid (pH 6-8) 5.20 -1.88 -9.92 0 6 0 74 462.34 6
Mid Mid (pH 6-8) 5.02 -0.96 -11.91 0 6 0 74 462.34 6

Activity (Go SEA)

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