UCSF

ZINC05631787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 15 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) 0.96 5.1 -9.47 0 3 0 33 204.273 1
Lo Low (pH 4.5-6) 0.96 5.62 -28.1 1 3 1 34 205.281 1

Activity (Go SEA)

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