UCSF

ZINC36626372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.30 4.19 -18.19 1 8 0 107 437.886 5
Mid Mid (pH 6-8) 3.37 2.55 -43.36 0 8 -1 114 436.878 5

Activity (Go SEA)

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