UCSF

ZINC33864224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 30 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) -0.40 6.51 -49.27 3 10 -1 164 410.362 5
Lo Low (pH 4.5-6) -0.22 2.15 -75.71 3 10 -1 175 410.362 5

Activity (Go SEA)

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