UCSF

ZINC43706495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 31 No

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) 0.81 12.86 -76.21 4 7 1 106 465.636 21
Mid Mid (pH 6-8) 0.81 12.51 -50.13 3 7 0 105 464.628 21

Activity (Go SEA)

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