UCSF

ZINC45966638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 29 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) 0.75 4.67 -12.9 1 7 0 65 467.408 8
Mid Mid (pH 6-8) 0.75 5.96 -60.02 2 7 1 70 468.416 8
Mid Mid (pH 6-8) 0.75 8.23 -104.67 3 7 2 71 469.424 8
Mid Mid (pH 6-8) 0.75 6.94 -45.48 2 7 1 66 468.416 8

Activity (Go SEA)

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