UCSF

ZINC35447984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 5.61 13.39 -44.95 2 6 1 74 460.579 5
Mid Mid (pH 6-8) 5.61 12.86 -16.59 1 6 0 73 459.571 5

Activity (Go SEA)

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