UCSF

ZINC42752112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 23 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) 1.20 6.36 -41.35 2 6 1 54 316.429 6
Hi High (pH 8-9.5) 1.20 3.99 -11.66 1 6 0 53 315.421 6
Hi High (pH 8-9.5) 1.20 6.25 -42.82 2 6 1 54 316.429 6
Lo Low (pH 4.5-6) 1.20 6.87 -73.23 3 6 2 55 317.437 6

Activity (Go SEA)

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