UCSF

ZINC35697683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -0.01 0.22 -49.01 2 5 -1 84 240.289 2
Mid Mid (pH 6-8) -0.47 1.59 -17.58 3 5 0 81 241.297 2

Activity (Go SEA)

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