UCSF

ZINC35016735

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) 2.02 7.07 -33.38 1 4 -1 57 313.399 6
Mid Mid (pH 6-8) 2.39 8.38 -12.38 2 4 0 50 314.407 7

Activity (Go SEA)

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