UCSF

ZINC38494717

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 25 Yes

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) 1.97 1.55 -13.76 2 5 0 71 357.772 2
Mid Mid (pH 6-8) 1.97 1.95 -31.31 3 5 1 72 358.78 2

Activity (Go SEA)

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