UCSF

ZINC60210759

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 11.96 -17.35 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.61 11.29 -65.83 0 8 -1 106 496.561 8
Mid Mid (pH 6-8) 4.21 10.6 -14.5 0 8 0 101 497.569 8

Activity (Go SEA)

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