UCSF

ZINC35016628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.88 6.8 -33.05 1 4 -1 57 313.399 5
Mid Mid (pH 6-8) 2.63 7.9 -10.63 2 4 0 50 314.407 6

Activity (Go SEA)

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