UCSF

ZINC19919830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 2.57 6.75 -5.12 1 2 0 25 226.323 5
Lo Low (pH 4.5-6) 2.57 7.19 -34.3 2 2 1 26 227.331 5
Lo Low (pH 4.5-6) 2.57 8 -48.74 2 2 1 29 227.331 5

Activity (Go SEA)

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