UCSF

ZINC44686110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.48 6.15 -38.17 2 5 1 46 282.408 5
Hi High (pH 8-9.5) 1.48 3.83 -6.02 1 5 0 45 281.4 5
Hi High (pH 8-9.5) 1.48 4.87 -48.17 2 5 1 49 282.408 5
Lo Low (pH 4.5-6) 1.48 7.2 -120.23 3 5 2 51 283.416 5

Activity (Go SEA)

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