UCSF

ZINC44873862

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.25 1.65 -9.55 3 6 0 82 282.388 6
Mid Mid (pH 6-8) 1.25 4.46 -53.07 4 6 1 83 283.396 6

Activity (Go SEA)

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