UCSF

ZINC07105488

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 31 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) 4.31 12.78 -18.44 0 6 0 66 415.493 8
Lo Low (pH 4.5-6) 4.31 13.53 -32.88 1 6 0 67 416.501 8

Activity (Go SEA)

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