UCSF

ZINC34667529

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 2.74 10.13 -23.25 1 9 0 93 476.533 8
Mid Mid (pH 6-8) 2.74 10.48 -57.25 2 9 1 94 477.541 8

Activity (Go SEA)

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