UCSF

ZINC04000331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.78 -0.8 -61.91 0 5 -1 78 332.383 1
Lo Low (pH 4.5-6) 3.78 -0.7 -74.06 1 5 0 80 333.391 1

Activity (Go SEA)

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