UCSF

ZINC42465317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.41 1.96 -8.4 1 5 0 58 223.276 4
Lo Low (pH 4.5-6) 0.41 2.07 -26 2 5 1 60 224.284 4

Activity (Go SEA)

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