UCSF

ZINC05840851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 3.50 9.72 -84.21 2 4 2 35 322.456 6
Lo Low (pH 4.5-6) 3.50 10 -167.41 3 4 3 36 323.464 6

Activity (Go SEA)

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