UCSF

ZINC35680343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) -0.33 4.53 -48.27 0 5 -1 64 239.295 3
Mid Mid (pH 6-8) -0.33 6.67 -39.94 1 5 0 65 240.303 3

Activity (Go SEA)

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