UCSF

ZINC36612682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 34 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) 3.79 11.9 -71.01 1 8 -1 113 460.51 7
Ref Reference (pH 7) 3.79 12.29 -64.62 1 8 -1 113 460.51 7

Activity (Go SEA)

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