UCSF

ZINC43393923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.95 7.33 -45.95 3 2 1 31 269.412 5
Lo Low (pH 4.5-6) 2.95 9.27 -126.3 4 2 2 32 270.42 5

Activity (Go SEA)

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