UCSF

ZINC43248722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.19 4.64 -46.53 3 4 1 51 298.476 7
Hi High (pH 8-9.5) 1.19 4.32 -6.53 2 4 0 50 297.468 7
Hi High (pH 8-9.5) 1.19 5.55 -28.7 3 4 1 51 298.476 7
Lo Low (pH 4.5-6) 1.19 5.87 -109.35 4 4 2 52 299.484 7

Activity (Go SEA)

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