UCSF

ZINC44686227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.51 8.78 -36.05 2 3 1 30 285.411 4
Lo Low (pH 4.5-6) 3.51 7.56 -39.46 2 3 1 33 285.411 4
Lo Low (pH 4.5-6) 3.51 10 -106.73 3 3 2 34 286.419 4

Activity (Go SEA)

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