UCSF

ZINC41305908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.87 6.45 -7.56 2 3 0 52 250.301 2
Lo Low (pH 4.5-6) 3.87 6.42 -25.73 3 3 1 53 251.309 2

Activity (Go SEA)

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