UCSF

ZINC27525358

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 27 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) 0.84 9.42 -99.14 2 7 0 95 374.416 5
Lo Low (pH 4.5-6) -2.74 8.47 -70.33 3 7 1 98 375.424 4

Activity (Go SEA)

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