UCSF

ZINC41533276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) -0.08 7.27 -70.28 1 6 0 78 315.373 5
Lo Low (pH 4.5-6) -0.08 6.33 -51.9 2 6 1 75 316.381 5

Activity (Go SEA)

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