UCSF

ZINC59568913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 29 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) -4.36 -2.83 -360.89 3 16 -4 259 496.176 8
Mid Mid (pH 6-8) -4.36 -3.99 -224.82 4 16 -3 256 497.184 8

Activity (Go SEA)

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