UCSF

ZINC66893618

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 21 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) 1.31 6.36 -31.38 1 5 1 43 297.419 3
Mid Mid (pH 6-8) 1.31 4.26 -7.66 0 5 0 42 296.411 3

Activity (Go SEA)

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