UCSF

ZINC34676333

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 37 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) 0.89 7.39 -17.02 1 10 0 100 508.623 10
Mid Mid (pH 6-8) 0.89 9.66 -55.64 2 10 1 101 509.631 10

Activity (Go SEA)

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