UCSF

ZINC58045113

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 20 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) 1.48 6.38 -43.95 2 5 1 54 284.424 6
Mid Mid (pH 6-8) 1.48 4.23 -11.8 1 5 0 53 283.416 6

Activity (Go SEA)

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