UCSF

ZINC27745458

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 14 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) 0.41 5.34 -40.41 2 3 1 40 196.318 6
Mid Mid (pH 6-8) 0.41 6.75 -121.74 3 3 2 45 197.326 6

Activity (Go SEA)

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