UCSF

ZINC28937760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 0.16 3.55 -19.24 0 6 0 57 294.38 2
Lo Low (pH 4.5-6) 0.16 3.93 -43.66 1 6 1 58 295.388 2

Activity (Go SEA)

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