UCSF

ZINC39130860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 22 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) 3.52 6.71 -4.12 1 3 0 24 316.832 5
Lo Low (pH 4.5-6) 3.52 8.98 -36.3 2 3 1 26 317.84 5

Activity (Go SEA)

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