UCSF

ZINC34671851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 38 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) 6.38 16.05 -13.6 1 4 0 42 508.637 8
Lo Low (pH 4.5-6) 6.38 17.84 -44.03 2 4 1 43 509.645 8

Activity (Go SEA)

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