UCSF

ZINC06671398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 20 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) 3.15 6.93 -9.13 1 4 0 43 290.388 4
Lo Low (pH 4.5-6) 3.15 7.29 -29.73 2 4 1 45 291.396 4

Activity (Go SEA)

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