UCSF

ZINC07409084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 23 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) 3.75 -2.17 -12.09 1 5 0 64 343.351 7
Hi High (pH 8-9.5) 3.75 -1.59 -43.25 0 5 -1 66 342.343 7

Activity (Go SEA)

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