UCSF

ZINC39356872

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 31 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) 3.50 13.17 -57.23 2 6 1 64 418.565 6
Mid Mid (pH 6-8) 3.50 11.3 -12.25 1 6 0 63 417.557 6

Activity (Go SEA)

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