UCSF

ZINC42929027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.82 9.43 -11.12 0 4 0 36 295.386 2
Lo Low (pH 4.5-6) 2.82 9.97 -39.74 1 4 1 38 296.394 2

Activity (Go SEA)

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