UCSF

ZINC43408783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.57 4.97 -10.33 3 4 0 62 293.436 7
Mid Mid (pH 6-8) 2.57 5.4 -29.06 4 4 1 64 294.444 7

Activity (Go SEA)

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