UCSF

ZINC07471618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.91 8.79 -19.31 2 5 0 71 342.468 7
Hi High (pH 8-9.5) 3.91 8.64 -48.94 1 5 -1 69 341.46 7

Activity (Go SEA)

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