UCSF

ZINC00201498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 Yes

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) 3.14 7.74 -49.6 2 5 -1 85 329.282 4
Lo Low (pH 4.5-6) 3.14 5.7 -10.54 3 5 0 82 330.29 4

Activity (Go SEA)

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