UCSF

ZINC44685876

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) 2.80 7.88 -32.78 2 3 1 26 275.416 6
Lo Low (pH 4.5-6) 2.80 8.73 -109.02 3 3 2 30 276.424 6
Lo Low (pH 4.5-6) 2.80 6.38 -39.3 2 3 1 29 275.416 6

Activity (Go SEA)

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