UCSF

ZINC28016203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 23 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) 2.55 4.6 -10.27 1 5 0 51 320.433 6
Mid Mid (pH 6-8) 2.55 6.67 -47.3 2 5 1 52 321.441 6

Activity (Go SEA)

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