UCSF

ZINC06894417

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 22 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) 3.28 9.28 -41.31 3 4 0 73 294.354 5
Hi High (pH 8-9.5) 3.28 7.93 -50.32 2 4 -1 68 293.346 5

Activity (Go SEA)

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