UCSF

ZINC59401347

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 40 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) -5.43 -6.83 -155.53 14 20 0 349 574.552 19
Mid Mid (pH 6-8) -5.43 -7.19 -120.27 13 20 -1 347 573.544 19
Lo Low (pH 4.5-6) -5.43 -8.77 -110.92 15 20 1 346 575.56 19
Lo Low (pH 4.5-6) -5.43 -8.82 -116.34 15 20 1 346 575.56 19

Activity (Go SEA)

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