UCSF

ZINC45358785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 31 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) 0.66 10.12 -110.86 3 7 0 102 433.455 5
Mid Mid (pH 6-8) -2.09 8.16 -89 4 7 1 105 434.463 4

Activity (Go SEA)

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