UCSF

ZINC44121027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 3.19 5.74 -28.97 2 3 1 28 297.507 4
Hi High (pH 8-9.5) 3.19 6.65 -34.8 2 3 1 28 297.507 4
Lo Low (pH 4.5-6) 3.19 8.18 -96.86 3 3 2 29 298.515 4

Activity (Go SEA)

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