UCSF

ZINC04062733

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) 5.55 0.92 -8.63 0 4 0 55 389.495 6
Mid Mid (pH 6-8) 5.74 -0.3 -10.4 0 4 0 55 389.495 6
Mid Mid (pH 6-8) 5.55 0.55 -12.43 0 4 0 55 389.495 6

Activity (Go SEA)

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