UCSF

ZINC35288978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 24 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) 1.67 6.09 -11.36 0 7 0 63 324.388 5
Mid Mid (pH 6-8) 1.67 8.29 -53.59 1 7 1 64 325.396 5

Activity (Go SEA)

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