UCSF

ZINC28015717

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 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) 2.80 7 -102.28 4 5 2 59 420.981 5
Mid Mid (pH 6-8) 2.80 4.68 -45.53 3 5 1 57 419.973 5

Activity (Go SEA)

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