UCSF

ZINC60210742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 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) 5.17 12.83 -15.52 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.33 13.3 -12.98 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.75 12.3 -62.4 0 6 -1 88 505.399 6
Mid Mid (pH 6-8) 5.35 12.43 -11.13 0 6 0 82 506.407 6

Activity (Go SEA)

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