UCSF

ZINC07405711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 22 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) 4.34 6.15 -36.27 0 3 -1 48 352.716 4
Lo Low (pH 4.5-6) 4.34 6.12 -8.31 1 3 0 46 353.724 4

Activity (Go SEA)

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