UCSF

ZINC34670451

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.43 6.3 -8.35 0 4 0 31 331.387 6
Lo Low (pH 4.5-6) 3.43 8.56 -42.26 1 4 1 32 332.395 6

Activity (Go SEA)

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