UCSF

ZINC40003742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 2.71 9.4 -57.75 0 11 -1 136 518.55 8
Mid Mid (pH 6-8) 2.71 11.66 -71.14 1 11 0 137 519.558 8
Lo Low (pH 4.5-6) 2.71 10.92 -55.89 2 11 1 134 520.566 8

Activity (Go SEA)

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