UCSF

ZINC36163081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 4.94 10.41 -8.64 2 6 0 71 433.552 7
Mid Mid (pH 6-8) 4.94 12.76 -45.98 3 6 1 72 434.56 7

Activity (Go SEA)

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