UCSF

ZINC39297672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 3.27 7.23 -10.33 1 3 0 42 254.333 4
Lo Low (pH 4.5-6) 3.27 7.69 -38.8 2 3 1 43 255.341 4

Activity (Go SEA)

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