UCSF

ZINC26398704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 26 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) 4.26 8.64 -33.63 1 4 1 26 355.502 6
Mid Mid (pH 6-8) 4.26 8.08 -4.8 0 4 0 25 354.494 6
Mid Mid (pH 6-8) 4.26 10.81 -117.44 2 4 2 27 356.51 6

Activity (Go SEA)

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