UCSF

ZINC43338778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 16 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) 0.87 3.9 -43.58 3 3 1 44 220.34 3
Hi High (pH 8-9.5) 0.87 3.68 -3.72 2 3 0 42 219.332 3
Lo Low (pH 4.5-6) 0.87 3.99 -105.13 4 3 2 45 221.348 3

Activity (Go SEA)

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