UCSF

ZINC26488835

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 1.49 1.98 -8.21 2 3 0 41 202.257 0
Mid Mid (pH 6-8) 1.49 3.29 -48.01 3 3 1 46 203.265 0

Activity (Go SEA)

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