UCSF

ZINC00713272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 13 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) 2.45 4.23 -8.29 2 2 0 39 192.287 0
Lo Low (pH 4.5-6) 2.45 4.48 -25.65 3 2 1 40 193.295 0

Activity (Go SEA)

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