UCSF

ZINC26499926

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 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) -3.27 -4.72 -64.46 8 9 1 158 255.258 4
Mid Mid (pH 6-8) -3.27 -4.99 -29.05 7 9 0 156 254.25 4

Activity (Go SEA)

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