UCSF

ZINC28226722

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 31 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) 2.13 8.74 -21.55 1 9 0 90 420.473 7
Mid Mid (pH 6-8) 2.13 11.14 -69.83 2 9 1 92 421.481 7

Activity (Go SEA)

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