UCSF

ZINC41706590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.08 8.21 -13.66 0 3 0 35 254.333 2
Lo Low (pH 4.5-6) 2.08 8.67 -48.74 1 3 1 36 255.341 2

Activity (Go SEA)

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