UCSF

ZINC42456607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.96 4.51 -28.65 3 3 1 34 256.458 6
Hi High (pH 8-9.5) 1.96 4.97 -29.9 3 3 1 34 256.458 6
Lo Low (pH 4.5-6) 1.96 7.17 -216.8 5 3 3 37 258.474 6
Lo Low (pH 4.5-6) 1.96 4.97 -121.16 4 3 2 35 257.466 6

Activity (Go SEA)

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