UCSF

ZINC35447979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 30 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) 5.17 11.63 -43.31 2 6 1 74 426.562 5
Mid Mid (pH 6-8) 5.17 11.09 -14.86 1 6 0 73 425.554 5

Activity (Go SEA)

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