UCSF

ZINC03932466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 24 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) 0.01 -5.31 -14.09 4 12 0 185 336.264 4
Lo Low (pH 4.5-6) 0.01 -5.16 -42.81 5 12 1 186 337.272 4
Lo Low (pH 4.5-6) 0.01 -5.17 -40.84 5 12 1 186 337.272 4

Activity (Go SEA)

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